NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14947 | 1x6b | 10241 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -23.369 -8.969 10.336 2 HA2 GLY 1 1HA GLY 1 -23.302 -9.936 7.768 3 HA3 GLY 1 2HA GLY 1 -23.579 -8.215 7.586 4 H SER 2 H SER 2 -21.673 -7.220 7.086 5 HA SER 2 HA SER 2 -19.483 -7.673 8.912 6 HB2 SER 2 1HB SER 2 -19.417 -9.066 6.596 7 HB3 SER 2 2HB SER 2 -18.767 -7.554 5.995 8 HG SER 2 HG SER 2 -17.681 -8.562 8.430 9 H SER 3 H SER 3 -20.241 -5.507 9.618 10 HA SER 3 HA SER 3 -20.078 -3.345 9.702 11 HB2 SER 3 1HB SER 3 -17.664 -3.942 8.906 12 HB3 SER 3 2HB SER 3 -18.166 -3.334 7.341 13 HG SER 3 HG SER 3 -18.720 -1.681 9.589 14 H GLY 4 H GLY 4 -21.392 -1.663 8.954 15 HA2 GLY 4 1HA GLY 4 -22.958 -2.186 6.597 16 HA3 GLY 4 2HA GLY 4 -23.120 -0.852 7.722 17 H SER 5 H SER 5 -23.467 0.130 5.371 18 HA SER 5 HA SER 5 -21.356 1.836 4.937 19 HB2 SER 5 1HB SER 5 -21.040 -0.704 3.581 20 HB3 SER 5 2HB SER 5 -21.299 0.545 2.380 21 HG SER 5 HG SER 5 -19.146 0.730 2.684 22 H SER 6 H SER 6 -21.788 3.260 2.944 23 HA SER 6 HA SER 6 -24.285 2.863 1.655 24 HB2 SER 6 1HB SER 6 -25.411 4.866 2.481 25 HB3 SER 6 2HB SER 6 -25.023 3.827 3.837 26 HG SER 6 HG SER 6 -23.273 5.176 4.398 27 H GLY 7 H GLY 7 -22.855 2.957 -0.202 28 HA2 GLY 7 1HA GLY 7 -22.520 5.553 -1.286 29 HA3 GLY 7 2HA GLY 7 -20.981 4.940 -0.715 30 H TRP 8 H TRP 8 -20.055 4.671 -2.798 31 HA TRP 8 HA TRP 8 -21.464 3.112 -4.763 32 HB2 TRP 8 1HB TRP 8 -18.670 4.268 -4.721 33 HB3 TRP 8 2HB TRP 8 -19.395 3.442 -6.086 34 HD1 TRP 8 HD TRP 8 -20.146 6.615 -3.928 35 HE1 TRP 8 1HE TRP 8 -21.272 8.490 -5.404 36 HE3 TRP 8 3HE TRP 8 -20.442 3.830 -8.172 37 HZ2 TRP 8 2HZ TRP 8 -22.142 8.595 -8.120 38 HZ3 TRP 8 3HZ TRP 8 -21.444 4.895 -10.192 39 HH2 TRP 8 HH TRP 8 -22.277 7.193 -10.212 40 H GLN 9 H GLN 9 -20.679 1.030 -5.572 41 HA GLN 9 HA GLN 9 -20.117 -0.752 -3.574 42 HB2 GLN 9 1HB GLN 9 -19.644 -2.362 -5.432 43 HB3 GLN 9 2HB GLN 9 -21.118 -1.447 -5.682 44 HG2 GLN 9 1HG GLN 9 -19.705 0.203 -7.079 45 HG3 GLN 9 2HG GLN 9 -18.409 -0.973 -6.999 46 HE21 GLN 9 1HE2 GLN 9 -20.737 0.137 -8.911 47 HE22 GLN 9 2HE2 GLN 9 -21.161 -1.265 -9.835 48 H GLY 10 H GLY 10 -17.892 0.736 -6.021 49 HA2 GLY 10 1HA GLY 10 -15.722 1.082 -4.399 50 HA3 GLY 10 2HA GLY 10 -15.573 -0.574 -4.955 51 H LEU 11 H LEU 11 -16.029 -0.845 -7.471 52 HA LEU 11 HA LEU 11 -15.323 -0.453 -9.525 53 HB2 LEU 11 1HB LEU 11 -15.991 2.334 -8.638 54 HB3 LEU 11 2HB LEU 11 -15.288 2.052 -10.218 55 HG LEU 11 HG LEU 11 -17.799 0.647 -9.290 56 HD11 LEU 11 1HD1 LEU 11 -18.180 2.843 -11.186 57 HD12 LEU 11 2HD1 LEU 11 -19.099 2.409 -9.725 58 HD13 LEU 11 3HD1 LEU 11 -17.614 3.380 -9.587 59 HD21 LEU 11 1HD2 LEU 11 -16.904 1.220 -12.116 60 HD22 LEU 11 2HD2 LEU 11 -16.417 -0.247 -11.234 61 HD23 LEU 11 3HD2 LEU 11 -18.140 0.072 -11.547 62 H SER 12 H SER 12 -13.265 -1.415 -9.003 63 HA SER 12 HA SER 12 -11.160 0.514 -9.319 64 HB2 SER 12 1HB SER 12 -11.740 -0.668 -6.758 65 HB3 SER 12 2HB SER 12 -10.236 -1.359 -7.331 66 HG SER 12 HG SER 12 -9.879 0.610 -6.133 67 H SER 13 H SER 13 -9.135 -0.512 -10.088 68 HA SER 13 HA SER 13 -9.741 -3.080 -11.303 69 HB2 SER 13 1HB SER 13 -7.828 -0.833 -12.012 70 HB3 SER 13 2HB SER 13 -7.624 -2.431 -12.702 71 HG SER 13 HG SER 13 -9.077 -1.822 -14.145 72 H LYS 14 H LYS 14 -8.767 -4.894 -10.473 73 HA LYS 14 HA LYS 14 -6.071 -4.945 -9.714 74 HB2 LYS 14 1HB LYS 14 -6.261 -5.245 -7.306 75 HB3 LYS 14 2HB LYS 14 -6.823 -3.653 -7.778 76 HG2 LYS 14 1HG LYS 14 -8.793 -4.077 -6.744 77 HG3 LYS 14 2HG LYS 14 -9.118 -5.327 -7.928 78 HD2 LYS 14 1HD LYS 14 -7.440 -6.733 -6.332 79 HD3 LYS 14 2HD LYS 14 -8.020 -5.589 -5.138 80 HE2 LYS 14 1HE LYS 14 -10.393 -6.303 -6.361 81 HE3 LYS 14 2HE LYS 14 -9.483 -7.793 -6.518 82 HZ1 LYS 14 1HZ LYS 14 -9.084 -7.752 -4.166 83 HZ2 LYS 14 2HZ LYS 14 -9.865 -6.328 -3.999 84 HZ3 LYS 14 3HZ LYS 14 -10.691 -7.665 -4.443 85 H GLY 15 H GLY 15 -5.478 -7.153 -8.841 86 HA2 GLY 15 1HA GLY 15 -7.538 -9.188 -9.115 87 HA3 GLY 15 2HA GLY 15 -6.293 -9.195 -10.347 88 H ASP 16 H ASP 16 -4.014 -9.488 -9.709 89 HA ASP 16 HA ASP 16 -3.836 -10.750 -7.085 90 HB2 ASP 16 1HB ASP 16 -2.822 -11.564 -9.798 91 HB3 ASP 16 2HB ASP 16 -1.784 -11.914 -8.431 92 H LEU 17 H LEU 17 -3.361 -7.901 -7.879 93 HA LEU 17 HA LEU 17 -0.747 -7.290 -8.430 94 HB2 LEU 17 1HB LEU 17 -2.954 -5.922 -6.944 95 HB3 LEU 17 2HB LEU 17 -1.349 -5.217 -6.936 96 HG LEU 17 HG LEU 17 -3.071 -5.781 -9.363 97 HD11 LEU 17 1HD1 LEU 17 -3.143 -3.374 -9.629 98 HD12 LEU 17 2HD1 LEU 17 -3.738 -3.826 -8.014 99 HD13 LEU 17 3HD1 LEU 17 -2.100 -3.155 -8.203 100 HD21 LEU 17 1HD2 LEU 17 -1.109 -6.057 -10.425 101 HD22 LEU 17 2HD2 LEU 17 -1.015 -4.283 -10.314 102 HD23 LEU 17 3HD2 LEU 17 -0.169 -5.296 -9.119 103 HA PRO 18 HA PRO 18 1.507 -8.296 -4.891 104 HB2 PRO 18 1HB PRO 18 3.484 -6.409 -4.869 105 HB3 PRO 18 2HB PRO 18 3.511 -7.814 -5.917 106 HG2 PRO 18 1HG PRO 18 2.916 -5.000 -6.603 107 HG3 PRO 18 2HG PRO 18 3.362 -6.319 -7.667 108 HD2 PRO 18 1HD PRO 18 0.737 -5.225 -7.297 109 HD3 PRO 18 2HD PRO 18 1.164 -6.617 -8.272 110 H GLN 19 H GLN 19 1.594 -8.129 -2.685 111 HA GLN 19 HA GLN 19 0.657 -5.534 -1.746 112 HB2 GLN 19 1HB GLN 19 -0.321 -8.303 -0.981 113 HB3 GLN 19 2HB GLN 19 -0.511 -6.951 0.117 114 HG2 GLN 19 1HG GLN 19 -1.630 -5.679 -1.823 115 HG3 GLN 19 2HG GLN 19 -1.628 -7.189 -2.712 116 HE21 GLN 19 1HE2 GLN 19 -3.714 -7.687 -2.787 117 HE22 GLN 19 2HE2 GLN 19 -4.752 -7.949 -1.425 118 H VAL 20 H VAL 20 1.611 -4.767 0.193 119 HA VAL 20 HA VAL 20 3.649 -6.531 1.352 120 HB VAL 20 HB VAL 20 5.168 -4.645 1.494 121 HG11 VAL 20 1HG1 VAL 20 6.014 -5.048 -0.552 122 HG12 VAL 20 2HG1 VAL 20 4.603 -6.113 -0.761 123 HG13 VAL 20 3HG1 VAL 20 4.558 -4.444 -1.379 124 HG21 VAL 20 1HG2 VAL 20 3.116 -2.979 1.419 125 HG22 VAL 20 2HG2 VAL 20 4.723 -2.484 0.834 126 HG23 VAL 20 3HG2 VAL 20 3.466 -2.977 -0.326 127 H GLU 21 H GLU 21 3.858 -6.413 3.601 128 HA GLU 21 HA GLU 21 1.682 -4.979 4.855 129 HB2 GLU 21 1HB GLU 21 1.996 -7.415 5.322 130 HB3 GLU 21 2HB GLU 21 3.581 -7.081 5.991 131 HG2 GLU 21 1HG GLU 21 2.625 -5.744 7.795 132 HG3 GLU 21 2HG GLU 21 1.036 -5.777 7.056 133 H ILE 22 H ILE 22 2.047 -3.010 5.772 134 HA ILE 22 HA ILE 22 4.644 -1.952 5.960 135 HB ILE 22 HB ILE 22 2.030 -1.015 7.147 136 HG12 ILE 22 1HG1 ILE 22 2.038 -1.318 4.671 137 HG13 ILE 22 2HG1 ILE 22 1.766 0.332 5.193 138 HG21 ILE 22 1HG2 ILE 22 3.630 1.197 6.660 139 HG22 ILE 22 2HG2 ILE 22 3.268 0.474 8.245 140 HG23 ILE 22 3HG2 ILE 22 4.748 0.010 7.373 141 HD11 ILE 22 1HD1 ILE 22 4.494 -0.757 4.366 142 HD12 ILE 22 2HD1 ILE 22 3.402 0.143 3.287 143 HD13 ILE 22 3HD1 ILE 22 4.090 0.939 4.723 144 H THR 23 H THR 23 6.175 -2.659 7.346 145 HA THR 23 HA THR 23 5.533 -4.067 9.712 146 HB THR 23 HB THR 23 8.014 -3.952 10.025 147 HG1 THR 23 1HG THR 23 8.915 -2.136 9.144 148 HG21 THR 23 1HG2 THR 23 6.712 -5.033 7.737 149 HG22 THR 23 2HG2 THR 23 8.116 -4.140 7.103 150 HG23 THR 23 3HG2 THR 23 8.351 -5.427 8.310 151 H LYS 24 H LYS 24 6.311 -0.642 9.005 152 HA LYS 24 HA LYS 24 5.376 -0.036 11.700 153 HB2 LYS 24 1HB LYS 24 7.227 1.478 12.123 154 HB3 LYS 24 2HB LYS 24 7.819 -0.151 11.869 155 HG2 LYS 24 1HG LYS 24 7.971 0.699 9.310 156 HG3 LYS 24 2HG LYS 24 8.077 2.265 10.088 157 HD2 LYS 24 1HD LYS 24 9.925 1.215 11.588 158 HD3 LYS 24 2HD LYS 24 9.934 -0.121 10.454 159 HE2 LYS 24 1HE LYS 24 11.515 1.164 9.381 160 HE3 LYS 24 2HE LYS 24 10.107 1.932 8.675 161 HZ1 LYS 24 1HZ LYS 24 11.830 2.894 10.798 162 HZ2 LYS 24 2HZ LYS 24 11.195 3.704 9.530 163 HZ3 LYS 24 3HZ LYS 24 10.263 3.353 10.824 164 H ALA 25 H ALA 25 4.460 2.100 11.898 165 HA ALA 25 HA ALA 25 2.934 2.893 9.776 166 HB1 ALA 25 1HB ALA 25 2.709 5.043 11.085 167 HB2 ALA 25 2HB ALA 25 2.447 3.566 12.044 168 HB3 ALA 25 3HB ALA 25 3.989 4.447 12.169 169 H PHE 26 H PHE 26 3.047 4.644 8.249 170 HA PHE 26 HA PHE 26 5.765 5.665 7.842 171 HB2 PHE 26 1HB PHE 26 5.505 3.985 6.144 172 HB3 PHE 26 2HB PHE 26 3.778 4.251 6.020 173 HD1 PHE 26 1HD PHE 26 6.895 6.262 5.524 174 HD2 PHE 26 2HD PHE 26 3.068 5.179 4.045 175 HE1 PHE 26 1HE PHE 26 7.263 7.713 3.509 176 HE2 PHE 26 2HE PHE 26 3.436 6.630 2.030 177 HZ PHE 26 HZ PHE 26 5.529 7.880 1.786 178 H PHE 27 H PHE 27 5.012 7.627 8.935 179 HA PHE 27 HA PHE 27 2.746 9.026 8.195 180 HB2 PHE 27 1HB PHE 27 5.523 10.023 9.074 181 HB3 PHE 27 2HB PHE 27 4.038 10.937 9.245 182 HD1 PHE 27 2HD PHE 27 2.160 8.970 10.302 183 HD2 PHE 27 1HD PHE 27 6.266 9.544 11.211 184 HE1 PHE 27 2HE PHE 27 1.800 7.959 12.571 185 HE2 PHE 27 1HE PHE 27 5.905 8.533 13.480 186 HZ PHE 27 HZ PHE 27 3.676 7.752 14.133 187 H ALA 28 H ALA 28 2.173 9.977 6.303 188 HA ALA 28 HA ALA 28 4.115 10.299 4.235 189 HB1 ALA 28 1HB ALA 28 1.837 9.582 3.737 190 HB2 ALA 28 2HB ALA 28 1.177 11.064 4.469 191 HB3 ALA 28 3HB ALA 28 2.137 11.161 2.973 192 H LYS 29 H LYS 29 5.227 12.121 3.642 193 HA LYS 29 HA LYS 29 4.656 14.516 5.237 194 HB2 LYS 29 1HB LYS 29 6.933 15.064 5.135 195 HB3 LYS 29 2HB LYS 29 6.907 13.339 5.445 196 HG2 LYS 29 1HG LYS 29 8.330 13.193 3.664 197 HG3 LYS 29 2HG LYS 29 6.886 13.361 2.686 198 HD2 LYS 29 1HD LYS 29 7.578 15.374 1.902 199 HD3 LYS 29 2HD LYS 29 7.747 16.000 3.530 200 HE2 LYS 29 1HE LYS 29 9.986 16.069 3.096 201 HE3 LYS 29 2HE LYS 29 9.962 14.335 3.348 202 HZ1 LYS 29 1HZ LYS 29 9.811 15.775 0.807 203 HZ2 LYS 29 2HZ LYS 29 10.898 14.648 1.270 204 HZ3 LYS 29 3HZ LYS 29 9.365 14.208 0.921 205 H GLN 30 H GLN 30 5.085 13.161 1.962 206 HA GLN 30 HA GLN 30 4.799 15.770 0.805 207 HB2 GLN 30 1HB GLN 30 5.256 12.980 -0.281 208 HB3 GLN 30 2HB GLN 30 4.767 14.268 -1.364 209 HG2 GLN 30 1HG GLN 30 6.785 15.510 0.071 210 HG3 GLN 30 2HG GLN 30 7.361 13.855 0.037 211 HE21 GLN 30 1HE2 GLN 30 9.064 14.959 -1.232 212 HE22 GLN 30 2HE2 GLN 30 8.877 15.084 -2.949 213 H ALA 31 H ALA 31 3.197 15.424 -1.410 214 HA ALA 31 HA ALA 31 0.592 15.071 -0.150 215 HB1 ALA 31 1HB ALA 31 -0.224 16.332 -2.101 216 HB2 ALA 31 2HB ALA 31 1.112 17.199 -1.305 217 HB3 ALA 31 3HB ALA 31 1.407 16.302 -2.814 218 H ASP 32 H ASP 32 2.860 13.256 -1.863 219 HA ASP 32 HA ASP 32 0.793 11.816 -3.304 220 HB2 ASP 32 1HB ASP 32 3.462 12.538 -3.931 221 HB3 ASP 32 2HB ASP 32 3.536 10.815 -3.620 222 H GLU 33 H GLU 33 3.082 11.735 -0.605 223 HA GLU 33 HA GLU 33 3.115 8.930 -0.325 224 HB2 GLU 33 1HB GLU 33 3.864 11.209 1.551 225 HB3 GLU 33 2HB GLU 33 4.069 9.523 1.983 226 HG2 GLU 33 1HG GLU 33 5.669 9.145 0.237 227 HG3 GLU 33 2HG GLU 33 5.219 10.610 -0.613 228 H VAL 34 H VAL 34 1.975 7.598 1.184 229 HA VAL 34 HA VAL 34 -0.408 8.903 2.307 230 HB VAL 34 HB VAL 34 -1.044 7.483 0.508 231 HG11 VAL 34 1HG1 VAL 34 1.168 5.844 1.425 232 HG12 VAL 34 2HG1 VAL 34 -0.306 4.868 1.219 233 HG13 VAL 34 3HG1 VAL 34 0.318 5.835 -0.139 234 HG21 VAL 34 1HG2 VAL 34 -2.175 5.536 1.884 235 HG22 VAL 34 2HG2 VAL 34 -1.565 6.458 3.279 236 HG23 VAL 34 3HG2 VAL 34 -2.674 7.228 2.119 237 H THR 35 H THR 35 -1.023 8.350 4.439 238 HA THR 35 HA THR 35 1.179 7.431 6.059 239 HB THR 35 HB THR 35 -1.667 8.317 6.772 240 HG1 THR 35 1HG THR 35 -0.772 10.327 6.447 241 HG21 THR 35 1HG2 THR 35 0.282 7.193 8.439 242 HG22 THR 35 2HG2 THR 35 0.612 8.938 8.565 243 HG23 THR 35 3HG2 THR 35 -1.001 8.305 8.973 244 H LEU 36 H LEU 36 1.506 5.463 6.915 245 HA LEU 36 HA LEU 36 -0.742 3.584 6.725 246 HB2 LEU 36 1HB LEU 36 2.116 2.751 6.338 247 HB3 LEU 36 2HB LEU 36 0.649 1.875 5.950 248 HG LEU 36 HG LEU 36 1.235 4.451 4.523 249 HD11 LEU 36 1HD1 LEU 36 2.342 1.826 3.533 250 HD12 LEU 36 2HD1 LEU 36 2.678 3.476 2.955 251 HD13 LEU 36 3HD1 LEU 36 3.302 2.941 4.534 252 HD21 LEU 36 1HD2 LEU 36 0.201 2.823 2.672 253 HD22 LEU 36 2HD2 LEU 36 -0.475 2.049 4.125 254 HD23 LEU 36 3HD2 LEU 36 -0.803 3.767 3.797 255 H GLN 37 H GLN 37 -0.578 1.758 8.312 256 HA GLN 37 HA GLN 37 0.725 2.759 10.721 257 HB2 GLN 37 1HB GLN 37 -1.880 1.299 10.258 258 HB3 GLN 37 2HB GLN 37 -1.065 1.116 11.799 259 HG2 GLN 37 1HG GLN 37 -1.775 3.810 10.544 260 HG3 GLN 37 2HG GLN 37 -2.752 3.001 11.753 261 HE21 GLN 37 1HE2 GLN 37 -1.629 5.551 12.035 262 HE22 GLN 37 2HE2 GLN 37 -0.476 5.539 13.328 263 H GLN 38 H GLN 38 0.959 0.693 12.373 264 HA GLN 38 HA GLN 38 2.853 -0.940 11.049 265 HB2 GLN 38 1HB GLN 38 3.282 -0.192 13.327 266 HB3 GLN 38 2HB GLN 38 1.788 -0.904 13.903 267 HG2 GLN 38 1HG GLN 38 2.624 -3.080 13.840 268 HG3 GLN 38 2HG GLN 38 3.710 -2.745 12.506 269 HE21 GLN 38 1HE2 GLN 38 5.665 -3.214 13.185 270 HE22 GLN 38 2HE2 GLN 38 6.431 -2.641 14.629 271 H ALA 39 H ALA 39 2.571 -2.954 10.164 272 HA ALA 39 HA ALA 39 1.654 -4.905 9.652 273 HB1 ALA 39 1HB ALA 39 -0.442 -5.356 11.473 274 HB2 ALA 39 2HB ALA 39 1.228 -5.959 11.594 275 HB3 ALA 39 3HB ALA 39 0.772 -4.433 12.390 276 H ASP 40 H ASP 40 0.888 -2.717 8.196 277 HA ASP 40 HA ASP 40 -2.005 -2.918 8.048 278 HB2 ASP 40 1HB ASP 40 0.045 -0.869 7.228 279 HB3 ASP 40 2HB ASP 40 -1.415 -0.966 6.264 280 H VAL 41 H VAL 41 -2.665 -2.492 5.479 281 HA VAL 41 HA VAL 41 -0.941 -4.208 3.842 282 HB VAL 41 HB VAL 41 -3.957 -4.364 3.997 283 HG11 VAL 41 1HG1 VAL 41 -3.302 -4.976 1.810 284 HG12 VAL 41 2HG1 VAL 41 -1.874 -5.864 2.395 285 HG13 VAL 41 3HG1 VAL 41 -3.506 -6.513 2.685 286 HG21 VAL 41 1HG2 VAL 41 -3.720 -5.698 5.768 287 HG22 VAL 41 2HG2 VAL 41 -2.771 -6.819 4.762 288 HG23 VAL 41 3HG2 VAL 41 -1.948 -5.544 5.692 289 H VAL 42 H VAL 42 -0.585 -3.441 1.788 290 HA VAL 42 HA VAL 42 -2.351 -1.316 0.839 291 HB VAL 42 HB VAL 42 0.652 -1.170 1.127 292 HG11 VAL 42 1HG1 VAL 42 -1.139 0.805 -0.324 293 HG12 VAL 42 2HG1 VAL 42 0.630 0.880 -0.142 294 HG13 VAL 42 3HG1 VAL 42 -0.109 -0.402 -1.130 295 HG21 VAL 42 1HG2 VAL 42 -0.921 -0.531 3.057 296 HG22 VAL 42 2HG2 VAL 42 0.295 0.668 2.555 297 HG23 VAL 42 3HG2 VAL 42 -1.399 0.852 2.043 298 H LEU 43 H LEU 43 -2.890 -1.576 -1.285 299 HA LEU 43 HA LEU 43 -1.704 -3.845 -2.633 300 HB2 LEU 43 1HB LEU 43 -4.155 -3.498 -2.488 301 HB3 LEU 43 2HB LEU 43 -3.987 -2.042 -3.449 302 HG LEU 43 HG LEU 43 -2.893 -3.591 -5.224 303 HD11 LEU 43 1HD1 LEU 43 -4.093 -5.582 -3.319 304 HD12 LEU 43 2HD1 LEU 43 -4.030 -5.923 -5.065 305 HD13 LEU 43 3HD1 LEU 43 -2.526 -5.616 -4.163 306 HD21 LEU 43 1HD2 LEU 43 -5.694 -3.024 -4.578 307 HD22 LEU 43 2HD2 LEU 43 -4.809 -2.866 -6.114 308 HD23 LEU 43 3HD2 LEU 43 -5.476 -4.444 -5.629 309 H VAL 44 H VAL 44 0.178 -3.539 -3.697 310 HA VAL 44 HA VAL 44 1.152 -1.043 -4.433 311 HB VAL 44 HB VAL 44 1.795 -3.824 -5.428 312 HG11 VAL 44 1HG1 VAL 44 3.848 -1.681 -5.552 313 HG12 VAL 44 2HG1 VAL 44 3.535 -3.040 -6.657 314 HG13 VAL 44 3HG1 VAL 44 2.528 -1.575 -6.741 315 HG21 VAL 44 1HG2 VAL 44 3.854 -3.269 -3.866 316 HG22 VAL 44 2HG2 VAL 44 2.690 -2.161 -3.098 317 HG23 VAL 44 3HG2 VAL 44 2.334 -3.903 -3.190 318 H LEU 45 H LEU 45 1.102 0.165 -6.333 319 HA LEU 45 HA LEU 45 -0.680 -0.895 -8.415 320 HB2 LEU 45 1HB LEU 45 -0.546 1.859 -7.203 321 HB3 LEU 45 2HB LEU 45 -1.256 1.566 -8.778 322 HG LEU 45 HG LEU 45 -2.213 -0.020 -6.413 323 HD11 LEU 45 1HD1 LEU 45 -2.820 1.819 -5.315 324 HD12 LEU 45 2HD1 LEU 45 -2.406 2.874 -6.688 325 HD13 LEU 45 3HD1 LEU 45 -4.003 2.091 -6.617 326 HD21 LEU 45 1HD2 LEU 45 -3.062 -0.763 -8.502 327 HD22 LEU 45 2HD2 LEU 45 -4.371 0.145 -7.708 328 HD23 LEU 45 3HD2 LEU 45 -3.436 0.898 -9.022 329 H GLN 46 H GLN 46 2.141 1.159 -7.541 330 HA GLN 46 HA GLN 46 3.186 0.552 -10.172 331 HB2 GLN 46 1HB GLN 46 2.412 3.230 -9.201 332 HB3 GLN 46 2HB GLN 46 4.076 3.167 -9.746 333 HG2 GLN 46 1HG GLN 46 3.433 3.077 -11.922 334 HG3 GLN 46 2HG GLN 46 2.399 1.697 -11.616 335 HE21 GLN 46 1HE2 GLN 46 0.248 1.934 -11.386 336 HE22 GLN 46 2HE2 GLN 46 -0.615 3.425 -11.559 337 H GLN 47 H GLN 47 5.165 -0.376 -9.901 338 HA GLN 47 HA GLN 47 6.495 0.117 -7.380 339 HB2 GLN 47 1HB GLN 47 6.489 -2.079 -9.409 340 HB3 GLN 47 2HB GLN 47 8.015 -1.800 -8.595 341 HG2 GLN 47 1HG GLN 47 6.649 -1.828 -6.379 342 HG3 GLN 47 2HG GLN 47 5.331 -2.482 -7.331 343 HE21 GLN 47 1HE2 GLN 47 8.834 -2.923 -6.858 344 HE22 GLN 47 2HE2 GLN 47 8.840 -4.655 -6.863 345 H GLU 48 H GLU 48 7.996 1.727 -7.308 346 HA GLU 48 HA GLU 48 9.551 2.129 -9.746 347 HB2 GLU 48 1HB GLU 48 7.890 3.986 -9.092 348 HB3 GLU 48 2HB GLU 48 8.911 4.291 -7.701 349 HG2 GLU 48 1HG GLU 48 10.831 4.304 -9.622 350 HG3 GLU 48 2HG GLU 48 9.467 4.781 -10.614 351 H ASP 49 H ASP 49 11.643 1.499 -9.474 352 HA ASP 49 HA ASP 49 12.776 0.535 -7.319 353 HB2 ASP 49 1HB ASP 49 13.810 2.042 -9.678 354 HB3 ASP 49 2HB ASP 49 14.935 1.932 -8.338 355 H GLY 50 H GLY 50 12.564 1.459 -5.245 356 HA2 GLY 50 1HA GLY 50 13.919 3.012 -3.857 357 HA3 GLY 50 2HA GLY 50 13.403 4.282 -4.950 358 H TRP 51 H TRP 51 10.683 3.587 -5.391 359 HA TRP 51 HA TRP 51 9.548 3.549 -2.691 360 HB2 TRP 51 1HB TRP 51 9.085 5.640 -4.813 361 HB3 TRP 51 2HB TRP 51 7.945 5.346 -3.515 362 HD1 TRP 51 HD TRP 51 11.669 6.430 -3.922 363 HE1 TRP 51 1HE TRP 51 12.415 7.964 -1.909 364 HE3 TRP 51 3HE TRP 51 7.338 5.989 -1.295 365 HZ2 TRP 51 2HZ TRP 51 11.140 8.802 0.502 366 HZ3 TRP 51 3HZ TRP 51 7.171 7.197 0.879 367 HH2 TRP 51 HH TRP 51 8.981 8.566 1.785 368 H LEU 52 H LEU 52 7.487 2.527 -2.607 369 HA LEU 52 HA LEU 52 6.681 1.296 -5.151 370 HB2 LEU 52 1HB LEU 52 6.166 0.087 -2.452 371 HB3 LEU 52 2HB LEU 52 6.116 -0.673 -4.031 372 HG LEU 52 HG LEU 52 8.047 -1.409 -2.726 373 HD11 LEU 52 1HD1 LEU 52 8.470 0.110 -5.276 374 HD12 LEU 52 2HD1 LEU 52 9.861 -0.623 -4.441 375 HD13 LEU 52 3HD1 LEU 52 8.502 -1.643 -4.971 376 HD21 LEU 52 1HD2 LEU 52 8.201 1.000 -1.635 377 HD22 LEU 52 2HD2 LEU 52 9.621 -0.066 -1.764 378 HD23 LEU 52 3HD2 LEU 52 9.386 1.251 -2.939 379 H TYR 53 H TYR 53 4.819 2.118 -5.924 380 HA TYR 53 HA TYR 53 3.091 3.569 -4.110 381 HB2 TYR 53 1HB TYR 53 3.872 4.226 -6.510 382 HB3 TYR 53 2HB TYR 53 2.897 2.899 -7.110 383 HD1 TYR 53 1HD TYR 53 2.491 5.870 -4.841 384 HD2 TYR 53 2HD TYR 53 0.789 3.426 -7.913 385 HE1 TYR 53 1HE TYR 53 0.462 7.398 -4.944 386 HE2 TYR 53 2HE TYR 53 -1.234 4.962 -8.005 387 HH TYR 53 HH TYR 53 -2.353 6.534 -6.798 388 H GLY 54 H GLY 54 0.940 3.045 -3.618 389 HA2 GLY 54 1HA GLY 54 -0.344 0.775 -4.830 390 HA3 GLY 54 2HA GLY 54 0.233 0.448 -3.208 391 H GLU 55 H GLU 55 -2.279 0.183 -3.028 392 HA GLU 55 HA GLU 55 -3.288 2.773 -2.160 393 HB2 GLU 55 1HB GLU 55 -4.435 2.289 -4.243 394 HB3 GLU 55 2HB GLU 55 -4.770 0.641 -3.751 395 HG2 GLU 55 1HG GLU 55 -5.809 2.372 -1.698 396 HG3 GLU 55 2HG GLU 55 -6.331 3.022 -3.240 397 H ARG 56 H ARG 56 -3.691 2.736 0.006 398 HA ARG 56 HA ARG 56 -3.474 0.418 1.468 399 HB2 ARG 56 1HB ARG 56 -3.288 2.923 2.200 400 HB3 ARG 56 2HB ARG 56 -5.029 2.871 2.396 401 HG2 ARG 56 1HG ARG 56 -4.918 1.255 4.141 402 HG3 ARG 56 2HG ARG 56 -3.302 0.741 3.695 403 HD2 ARG 56 1HD ARG 56 -3.490 2.231 5.795 404 HD3 ARG 56 2HD ARG 56 -2.290 2.708 4.611 405 HE ARG 56 HE ARG 56 -4.451 4.140 3.761 406 HH11 ARG 56 2HH2 ARG 56 -3.064 3.719 6.967 407 HH12 ARG 56 1HH2 ARG 56 -3.575 5.274 7.532 408 HH21 ARG 56 2HH1 ARG 56 -5.125 6.192 4.505 409 HH22 ARG 56 1HH1 ARG 56 -4.755 6.691 6.122 410 H LEU 57 H LEU 57 -4.902 -1.279 1.661 411 HA LEU 57 HA LEU 57 -7.502 -1.123 0.598 412 HB2 LEU 57 1HB LEU 57 -6.133 -3.178 2.335 413 HB3 LEU 57 2HB LEU 57 -7.730 -3.389 1.644 414 HG LEU 57 HG LEU 57 -6.265 -4.556 0.227 415 HD11 LEU 57 1HD1 LEU 57 -6.673 -3.624 -1.865 416 HD12 LEU 57 2HD1 LEU 57 -7.924 -2.888 -0.835 417 HD13 LEU 57 3HD1 LEU 57 -6.473 -1.956 -1.276 418 HD21 LEU 57 1HD2 LEU 57 -4.228 -3.238 1.184 419 HD22 LEU 57 2HD2 LEU 57 -4.143 -3.945 -0.447 420 HD23 LEU 57 3HD2 LEU 57 -4.460 -2.205 -0.247 421 H ARG 58 H ARG 58 -6.119 -0.160 3.628 422 HA ARG 58 HA ARG 58 -8.111 -0.673 5.382 423 HB2 ARG 58 1HB ARG 58 -5.881 0.409 5.889 424 HB3 ARG 58 2HB ARG 58 -6.475 1.908 5.203 425 HG2 ARG 58 1HG ARG 58 -7.792 2.387 7.031 426 HG3 ARG 58 2HG ARG 58 -8.267 0.716 7.261 427 HD2 ARG 58 1HD ARG 58 -5.866 0.286 8.121 428 HD3 ARG 58 2HD ARG 58 -5.652 2.025 8.131 429 HE ARG 58 HE ARG 58 -7.243 0.460 10.012 430 HH11 ARG 58 2HH2 ARG 58 -6.871 3.637 8.546 431 HH12 ARG 58 1HH2 ARG 58 -7.651 4.470 9.849 432 HH21 ARG 58 2HH1 ARG 58 -8.273 1.558 11.730 433 HH22 ARG 58 1HH1 ARG 58 -8.454 3.280 11.672 434 H ASP 59 H ASP 59 -7.650 2.495 3.628 435 HA ASP 59 HA ASP 59 -10.537 2.828 3.836 436 HB2 ASP 59 1HB ASP 59 -9.507 4.628 5.009 437 HB3 ASP 59 2HB ASP 59 -8.216 4.778 3.834 438 H GLY 60 H GLY 60 -7.661 2.651 1.787 439 HA2 GLY 60 1HA GLY 60 -7.977 1.981 -0.496 440 HA3 GLY 60 2HA GLY 60 -9.353 3.061 -0.601 441 H GLU 61 H GLU 61 -6.880 4.462 1.325 442 HA GLU 61 HA GLU 61 -6.480 6.524 -0.473 443 HB2 GLU 61 1HB GLU 61 -5.768 5.896 2.214 444 HB3 GLU 61 2HB GLU 61 -4.266 6.286 1.400 445 HG2 GLU 61 1HG GLU 61 -5.915 8.275 0.422 446 HG3 GLU 61 2HG GLU 61 -6.597 8.040 2.019 447 H THR 62 H THR 62 -5.080 6.818 -2.174 448 HA THR 62 HA THR 62 -3.072 4.701 -2.574 449 HB THR 62 HB THR 62 -4.060 6.522 -4.775 450 HG1 THR 62 1HG THR 62 -6.094 5.800 -4.287 451 HG21 THR 62 1HG2 THR 62 -3.047 3.698 -4.440 452 HG22 THR 62 2HG2 THR 62 -4.239 3.998 -5.728 453 HG23 THR 62 3HG2 THR 62 -2.691 4.876 -5.726 454 H GLY 63 H GLY 63 -1.065 5.256 -2.028 455 HA2 GLY 63 1HA GLY 63 -0.097 7.886 -2.885 456 HA3 GLY 63 2HA GLY 63 -0.001 7.489 -1.181 457 H TRP 64 H TRP 64 2.411 7.891 -1.923 458 HA TRP 64 HA TRP 64 3.539 5.484 -3.123 459 HB2 TRP 64 1HB TRP 64 4.586 8.252 -2.583 460 HB3 TRP 64 2HB TRP 64 5.670 6.921 -2.936 461 HD1 TRP 64 HD TRP 64 3.083 9.177 -4.647 462 HE1 TRP 64 1HE TRP 64 3.158 8.920 -7.272 463 HE3 TRP 64 3HE TRP 64 6.237 5.190 -4.691 464 HZ2 TRP 64 2HZ TRP 64 4.499 7.118 -9.033 465 HZ3 TRP 64 3HZ TRP 64 6.880 4.241 -6.905 466 HH2 TRP 64 HH TRP 64 6.064 5.141 -9.026 467 H PHE 65 H PHE 65 4.654 3.973 -1.907 468 HA PHE 65 HA PHE 65 5.316 4.719 0.840 469 HB2 PHE 65 1HB PHE 65 4.150 2.789 1.666 470 HB3 PHE 65 2HB PHE 65 3.064 3.382 0.425 471 HD1 PHE 65 1HD PHE 65 5.849 0.962 0.936 472 HD2 PHE 65 2HD PHE 65 2.363 1.954 -1.271 473 HE1 PHE 65 1HE PHE 65 5.938 -1.270 -0.209 474 HE2 PHE 65 2HE PHE 65 2.452 -0.277 -2.416 475 HZ PHE 65 HZ PHE 65 4.239 -1.863 -1.872 476 HA PRO 66 HA PRO 66 8.988 2.720 -0.385 477 HB2 PRO 66 1HB PRO 66 10.374 2.973 1.956 478 HB3 PRO 66 2HB PRO 66 10.284 4.245 0.754 479 HG2 PRO 66 1HG PRO 66 8.893 4.052 3.355 480 HG3 PRO 66 2HG PRO 66 9.153 5.465 2.352 481 HD2 PRO 66 1HD PRO 66 6.715 3.979 2.624 482 HD3 PRO 66 2HD PRO 66 7.009 5.320 1.535 483 H GLU 67 H GLU 67 10.202 0.776 -0.190 484 HA GLU 67 HA GLU 67 8.536 -1.249 0.853 485 HB2 GLU 67 1HB GLU 67 10.583 -2.711 0.193 486 HB3 GLU 67 2HB GLU 67 9.727 -1.871 -1.084 487 HG2 GLU 67 1HG GLU 67 11.531 -0.569 -1.589 488 HG3 GLU 67 2HG GLU 67 11.833 -0.185 0.095 489 H ASP 68 H ASP 68 11.485 0.468 1.914 490 HA ASP 68 HA ASP 68 12.409 -1.221 3.804 491 HB2 ASP 68 1HB ASP 68 12.729 1.511 3.101 492 HB3 ASP 68 2HB ASP 68 12.343 1.533 4.810 493 H PHE 69 H PHE 69 9.400 0.593 3.691 494 HA PHE 69 HA PHE 69 8.948 0.108 6.545 495 HB2 PHE 69 1HB PHE 69 7.690 1.917 4.402 496 HB3 PHE 69 2HB PHE 69 6.994 1.753 6.002 497 HD1 PHE 69 1HD PHE 69 10.186 2.673 4.314 498 HD2 PHE 69 2HD PHE 69 7.677 3.184 7.698 499 HE1 PHE 69 1HE PHE 69 11.694 4.493 5.158 500 HE2 PHE 69 2HE PHE 69 9.185 5.005 8.541 501 HZ PHE 69 HZ PHE 69 11.175 5.637 7.261 502 H ALA 70 H ALA 70 8.791 -1.905 4.253 503 HA ALA 70 HA ALA 70 6.258 -2.995 5.035 504 HB1 ALA 70 1HB ALA 70 5.034 -2.372 3.261 505 HB2 ALA 70 2HB ALA 70 6.392 -1.375 2.688 506 HB3 ALA 70 3HB ALA 70 6.246 -3.068 2.159 507 H ARG 71 H ARG 71 5.974 -5.215 3.866 508 HA ARG 71 HA ARG 71 8.584 -6.256 3.159 509 HB2 ARG 71 1HB ARG 71 6.916 -6.995 5.506 510 HB3 ARG 71 2HB ARG 71 7.420 -8.377 4.554 511 HG2 ARG 71 1HG ARG 71 9.784 -6.991 4.653 512 HG3 ARG 71 2HG ARG 71 9.074 -6.478 6.171 513 HD2 ARG 71 1HD ARG 71 9.986 -8.425 6.979 514 HD3 ARG 71 2HD ARG 71 8.549 -9.166 6.303 515 HE ARG 71 HE ARG 71 10.659 -8.904 4.314 516 HH11 ARG 71 2HH2 ARG 71 9.528 -10.882 6.996 517 HH12 ARG 71 1HH2 ARG 71 10.324 -12.317 6.440 518 HH21 ARG 71 2HH1 ARG 71 11.710 -10.797 3.581 519 HH22 ARG 71 1HH1 ARG 71 11.573 -12.268 4.485 520 H PHE 72 H PHE 72 8.312 -7.051 1.094 521 HA PHE 72 HA PHE 72 5.899 -7.495 -0.120 522 HB2 PHE 72 1HB PHE 72 8.797 -8.207 -0.459 523 HB3 PHE 72 2HB PHE 72 7.707 -9.256 -1.344 524 HD1 PHE 72 1HD PHE 72 6.140 -8.245 -3.030 525 HD2 PHE 72 2HD PHE 72 9.260 -6.012 -1.216 526 HE1 PHE 72 1HE PHE 72 5.982 -6.536 -4.861 527 HE2 PHE 72 2HE PHE 72 9.101 -4.302 -3.047 528 HZ PHE 72 HZ PHE 72 7.464 -4.585 -4.848 529 H ILE 73 H ILE 73 4.312 -8.839 0.640 530 HA ILE 73 HA ILE 73 4.845 -11.154 2.124 531 HB ILE 73 HB ILE 73 2.375 -10.279 0.623 532 HG12 ILE 73 1HG1 ILE 73 3.248 -9.872 3.498 533 HG13 ILE 73 2HG1 ILE 73 3.076 -8.635 2.268 534 HG21 ILE 73 1HG2 ILE 73 1.239 -12.048 1.398 535 HG22 ILE 73 2HG2 ILE 73 2.843 -12.802 1.561 536 HG23 ILE 73 3HG2 ILE 73 2.075 -12.029 2.969 537 HD11 ILE 73 1HD1 ILE 73 0.774 -10.419 3.175 538 HD12 ILE 73 2HD1 ILE 73 1.108 -8.809 3.858 539 HD13 ILE 73 3HD1 ILE 73 0.671 -8.974 2.140 540 H SER 74 H SER 74 3.599 -10.807 -1.277 541 HA SER 74 HA SER 74 5.270 -13.007 -2.025 542 HB2 SER 74 1HB SER 74 2.464 -13.405 -1.407 543 HB3 SER 74 2HB SER 74 2.712 -13.677 -3.121 544 HG SER 74 HG SER 74 4.668 -14.831 -1.445 545 H GLY 75 H GLY 75 6.106 -12.498 -4.021 546 HA2 GLY 75 1HA GLY 75 4.475 -11.390 -6.099 547 HA3 GLY 75 2HA GLY 75 5.554 -10.199 -5.400 548 HA PRO 76 HA PRO 76 8.877 -11.892 -7.616 549 HB2 PRO 76 1HB PRO 76 11.031 -11.604 -5.959 550 HB3 PRO 76 2HB PRO 76 10.351 -10.281 -6.886 551 HG2 PRO 76 1HG PRO 76 10.109 -10.833 -3.992 552 HG3 PRO 76 2HG PRO 76 9.814 -9.335 -4.852 553 HD2 PRO 76 1HD PRO 76 7.838 -11.156 -3.849 554 HD3 PRO 76 2HD PRO 76 7.548 -9.719 -4.809 555 H SER 77 H SER 77 7.477 -13.972 -7.192 556 HA SER 77 HA SER 77 8.339 -15.831 -5.435 557 HB2 SER 77 1HB SER 77 7.166 -16.039 -8.219 558 HB3 SER 77 2HB SER 77 7.598 -17.495 -7.346 559 HG SER 77 HG SER 77 6.220 -16.690 -5.558 560 H SER 78 H SER 78 9.487 -18.031 -6.140 561 HA SER 78 HA SER 78 11.991 -17.201 -7.357 562 HB2 SER 78 1HB SER 78 11.498 -18.509 -4.970 563 HB3 SER 78 2HB SER 78 11.852 -19.858 -6.031 564 HG SER 78 HG SER 78 13.555 -17.885 -5.021 565 H GLY 79 H GLY 79 9.792 -20.102 -7.160 566 HA2 GLY 79 1HA GLY 79 10.816 -21.613 -9.192 567 HA3 GLY 79 2HA GLY 79 9.122 -21.551 -8.749 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -13.202 21.824 0.232 2 HA2 GLY 1 1HA GLY 1 -14.410 19.361 0.809 3 HA3 GLY 1 2HA GLY 1 -15.130 20.706 -0.053 4 H SER 2 H SER 2 -13.884 17.500 -0.303 5 HA SER 2 HA SER 2 -13.390 17.693 -3.120 6 HB2 SER 2 1HB SER 2 -11.937 16.206 -1.926 7 HB3 SER 2 2HB SER 2 -13.271 15.437 -1.090 8 HG SER 2 HG SER 2 -13.873 14.344 -2.955 9 H SER 3 H SER 3 -14.606 16.410 -4.731 10 HA SER 3 HA SER 3 -17.016 15.171 -3.919 11 HB2 SER 3 1HB SER 3 -18.550 16.680 -5.176 12 HB3 SER 3 2HB SER 3 -17.809 17.481 -3.805 13 HG SER 3 HG SER 3 -16.123 17.932 -5.806 14 H GLY 4 H GLY 4 -18.171 14.209 -5.858 15 HA2 GLY 4 1HA GLY 4 -17.516 14.363 -8.468 16 HA3 GLY 4 2HA GLY 4 -16.221 13.374 -7.822 17 H SER 5 H SER 5 -18.658 12.808 -9.642 18 HA SER 5 HA SER 5 -19.113 10.240 -8.685 19 HB2 SER 5 1HB SER 5 -20.830 12.188 -7.511 20 HB3 SER 5 2HB SER 5 -21.807 11.345 -8.697 21 HG SER 5 HG SER 5 -21.229 10.495 -6.263 22 H SER 6 H SER 6 -21.028 9.191 -10.082 23 HA SER 6 HA SER 6 -21.905 8.772 -12.026 24 HB2 SER 6 1HB SER 6 -21.461 11.708 -12.728 25 HB3 SER 6 2HB SER 6 -22.497 10.597 -13.600 26 HG SER 6 HG SER 6 -23.223 12.140 -11.588 27 H GLY 7 H GLY 7 -21.265 8.272 -14.287 28 HA2 GLY 7 1HA GLY 7 -19.762 8.299 -16.059 29 HA3 GLY 7 2HA GLY 7 -18.565 9.097 -15.058 30 H TRP 8 H TRP 8 -18.159 6.708 -16.714 31 HA TRP 8 HA TRP 8 -18.074 4.487 -14.882 32 HB2 TRP 8 1HB TRP 8 -17.437 4.926 -17.773 33 HB3 TRP 8 2HB TRP 8 -16.760 3.534 -16.951 34 HD1 TRP 8 HD TRP 8 -18.337 1.437 -16.822 35 HE1 TRP 8 1HE TRP 8 -20.869 0.856 -17.284 36 HE3 TRP 8 3HE TRP 8 -19.845 6.234 -17.580 37 HZ2 TRP 8 2HZ TRP 8 -23.167 2.432 -17.901 38 HZ3 TRP 8 3HZ TRP 8 -22.249 6.626 -18.108 39 HH2 TRP 8 HH TRP 8 -23.888 4.820 -18.273 40 H GLN 9 H GLN 9 -16.516 4.448 -13.317 41 HA GLN 9 HA GLN 9 -13.892 5.444 -14.116 42 HB2 GLN 9 1HB GLN 9 -15.240 6.847 -12.392 43 HB3 GLN 9 2HB GLN 9 -14.942 5.538 -11.265 44 HG2 GLN 9 1HG GLN 9 -12.630 6.752 -12.809 45 HG3 GLN 9 2HG GLN 9 -13.251 7.567 -11.387 46 HE21 GLN 9 1HE2 GLN 9 -11.313 5.067 -12.610 47 HE22 GLN 9 2HE2 GLN 9 -10.857 4.297 -11.127 48 H GLY 10 H GLY 10 -12.729 3.587 -14.507 49 HA2 GLY 10 1HA GLY 10 -11.476 1.798 -13.848 50 HA3 GLY 10 2HA GLY 10 -12.273 1.793 -12.287 51 H LEU 11 H LEU 11 -11.808 -0.089 -14.932 52 HA LEU 11 HA LEU 11 -14.299 -1.513 -14.449 53 HB2 LEU 11 1HB LEU 11 -13.676 -0.048 -16.871 54 HB3 LEU 11 2HB LEU 11 -13.876 -1.758 -17.201 55 HG LEU 11 HG LEU 11 -15.925 -0.243 -15.589 56 HD11 LEU 11 1HD1 LEU 11 -16.378 1.050 -17.344 57 HD12 LEU 11 2HD1 LEU 11 -15.293 0.125 -18.410 58 HD13 LEU 11 3HD1 LEU 11 -16.967 -0.421 -18.154 59 HD21 LEU 11 1HD2 LEU 11 -15.746 -2.852 -15.881 60 HD22 LEU 11 2HD2 LEU 11 -17.322 -2.027 -15.943 61 HD23 LEU 11 3HD2 LEU 11 -16.512 -2.512 -17.451 62 H SER 12 H SER 12 -12.333 -2.475 -13.146 63 HA SER 12 HA SER 12 -11.698 -4.859 -14.455 64 HB2 SER 12 1HB SER 12 -9.724 -2.675 -14.635 65 HB3 SER 12 2HB SER 12 -9.055 -4.114 -13.893 66 HG SER 12 HG SER 12 -9.527 -3.657 -16.517 67 H SER 13 H SER 13 -10.146 -6.224 -12.966 68 HA SER 13 HA SER 13 -10.836 -5.492 -10.239 69 HB2 SER 13 1HB SER 13 -10.166 -8.166 -11.535 70 HB3 SER 13 2HB SER 13 -10.305 -7.969 -9.799 71 HG SER 13 HG SER 13 -12.376 -7.427 -11.753 72 H LYS 14 H LYS 14 -9.214 -5.597 -8.554 73 HA LYS 14 HA LYS 14 -6.468 -5.860 -9.546 74 HB2 LYS 14 1HB LYS 14 -7.728 -3.557 -8.096 75 HB3 LYS 14 2HB LYS 14 -6.053 -3.950 -7.765 76 HG2 LYS 14 1HG LYS 14 -5.745 -2.523 -9.570 77 HG3 LYS 14 2HG LYS 14 -5.876 -4.041 -10.436 78 HD2 LYS 14 1HD LYS 14 -7.423 -2.763 -11.623 79 HD3 LYS 14 2HD LYS 14 -8.482 -3.492 -10.432 80 HE2 LYS 14 1HE LYS 14 -8.024 -1.404 -8.961 81 HE3 LYS 14 2HE LYS 14 -7.297 -0.684 -10.384 82 HZ1 LYS 14 1HZ LYS 14 -9.282 -0.411 -11.317 83 HZ2 LYS 14 2HZ LYS 14 -9.860 -1.864 -10.848 84 HZ3 LYS 14 3HZ LYS 14 -9.891 -0.601 -9.814 85 H GLY 15 H GLY 15 -5.782 -7.726 -8.618 86 HA2 GLY 15 1HA GLY 15 -5.852 -7.881 -5.711 87 HA3 GLY 15 2HA GLY 15 -6.718 -9.139 -6.571 88 H ASP 16 H ASP 16 -5.100 -9.513 -8.865 89 HA ASP 16 HA ASP 16 -3.231 -11.250 -7.903 90 HB2 ASP 16 1HB ASP 16 -4.216 -10.451 -10.408 91 HB3 ASP 16 2HB ASP 16 -2.511 -10.061 -10.512 92 H LEU 17 H LEU 17 -3.174 -7.777 -8.172 93 HA LEU 17 HA LEU 17 -0.492 -7.280 -8.678 94 HB2 LEU 17 1HB LEU 17 -2.681 -5.800 -7.259 95 HB3 LEU 17 2HB LEU 17 -1.046 -5.168 -7.262 96 HG LEU 17 HG LEU 17 -2.739 -5.744 -9.709 97 HD11 LEU 17 1HD1 LEU 17 -2.609 -3.246 -9.988 98 HD12 LEU 17 2HD1 LEU 17 -3.592 -3.812 -8.616 99 HD13 LEU 17 3HD1 LEU 17 -1.957 -3.166 -8.333 100 HD21 LEU 17 1HD2 LEU 17 -0.501 -4.126 -10.345 101 HD22 LEU 17 2HD2 LEU 17 0.105 -5.536 -9.443 102 HD23 LEU 17 3HD2 LEU 17 -0.877 -5.772 -10.909 103 HA PRO 18 HA PRO 18 1.531 -8.348 -5.020 104 HB2 PRO 18 1HB PRO 18 3.519 -6.482 -4.824 105 HB3 PRO 18 2HB PRO 18 3.602 -7.861 -5.903 106 HG2 PRO 18 1HG PRO 18 3.076 -5.026 -6.556 107 HG3 PRO 18 2HG PRO 18 3.578 -6.323 -7.622 108 HD2 PRO 18 1HD PRO 18 0.943 -5.212 -7.395 109 HD3 PRO 18 2HD PRO 18 1.422 -6.585 -8.374 110 H GLN 19 H GLN 19 1.984 -7.972 -2.760 111 HA GLN 19 HA GLN 19 0.797 -5.492 -1.854 112 HB2 GLN 19 1HB GLN 19 -0.213 -8.269 -1.257 113 HB3 GLN 19 2HB GLN 19 -0.297 -7.068 0.017 114 HG2 GLN 19 1HG GLN 19 -1.522 -5.522 -1.545 115 HG3 GLN 19 2HG GLN 19 -1.471 -6.758 -2.787 116 HE21 GLN 19 1HE2 GLN 19 -3.390 -7.604 -3.023 117 HE22 GLN 19 2HE2 GLN 19 -4.472 -8.122 -1.774 118 H VAL 20 H VAL 20 1.613 -4.765 0.192 119 HA VAL 20 HA VAL 20 3.689 -6.469 1.360 120 HB VAL 20 HB VAL 20 5.182 -4.583 1.532 121 HG11 VAL 20 1HG1 VAL 20 4.654 -5.988 -0.763 122 HG12 VAL 20 2HG1 VAL 20 4.561 -4.306 -1.338 123 HG13 VAL 20 3HG1 VAL 20 6.036 -4.889 -0.531 124 HG21 VAL 20 1HG2 VAL 20 3.135 -2.926 1.524 125 HG22 VAL 20 2HG2 VAL 20 4.725 -2.405 0.917 126 HG23 VAL 20 3HG2 VAL 20 3.447 -2.878 -0.228 127 H GLU 21 H GLU 21 3.857 -6.337 3.618 128 HA GLU 21 HA GLU 21 1.625 -4.931 4.818 129 HB2 GLU 21 1HB GLU 21 1.921 -7.384 5.249 130 HB3 GLU 21 2HB GLU 21 3.468 -7.054 6.003 131 HG2 GLU 21 1HG GLU 21 2.450 -5.820 7.807 132 HG3 GLU 21 2HG GLU 21 0.918 -5.697 6.964 133 H ILE 22 H ILE 22 1.973 -2.987 5.794 134 HA ILE 22 HA ILE 22 4.573 -1.952 6.074 135 HB ILE 22 HB ILE 22 1.962 -0.993 7.251 136 HG12 ILE 22 1HG1 ILE 22 1.770 -1.275 4.842 137 HG13 ILE 22 2HG1 ILE 22 1.792 0.425 5.265 138 HG21 ILE 22 1HG2 ILE 22 3.559 1.200 6.694 139 HG22 ILE 22 2HG2 ILE 22 3.246 0.496 8.299 140 HG23 ILE 22 3HG2 ILE 22 4.696 0.017 7.385 141 HD11 ILE 22 1HD1 ILE 22 4.204 0.563 4.684 142 HD12 ILE 22 2HD1 ILE 22 4.203 -1.171 4.280 143 HD13 ILE 22 3HD1 ILE 22 3.245 -0.030 3.306 144 H THR 23 H THR 23 6.063 -2.618 7.518 145 HA THR 23 HA THR 23 5.316 -4.068 9.848 146 HB THR 23 HB THR 23 7.768 -4.103 10.197 147 HG1 THR 23 1HG THR 23 8.777 -2.264 9.499 148 HG21 THR 23 1HG2 THR 23 8.015 -4.087 7.285 149 HG22 THR 23 2HG2 THR 23 8.099 -5.473 8.398 150 HG23 THR 23 3HG2 THR 23 6.525 -4.933 7.767 151 H LYS 24 H LYS 24 6.092 -0.660 9.142 152 HA LYS 24 HA LYS 24 5.165 -0.038 11.829 153 HB2 LYS 24 1HB LYS 24 7.035 1.412 12.313 154 HB3 LYS 24 2HB LYS 24 7.617 -0.212 12.013 155 HG2 LYS 24 1HG LYS 24 7.678 0.879 9.460 156 HG3 LYS 24 2HG LYS 24 8.063 2.275 10.446 157 HD2 LYS 24 1HD LYS 24 9.836 0.865 11.620 158 HD3 LYS 24 2HD LYS 24 9.516 -0.410 10.462 159 HE2 LYS 24 1HE LYS 24 9.989 1.349 8.615 160 HE3 LYS 24 2HE LYS 24 10.607 2.378 9.891 161 HZ1 LYS 24 1HZ LYS 24 12.298 0.895 10.339 162 HZ2 LYS 24 2HZ LYS 24 11.572 -0.364 9.594 163 HZ3 LYS 24 3HZ LYS 24 12.212 0.850 8.708 164 H ALA 25 H ALA 25 4.315 2.134 12.014 165 HA ALA 25 HA ALA 25 2.864 2.953 9.826 166 HB1 ALA 25 1HB ALA 25 2.931 3.548 12.476 167 HB2 ALA 25 2HB ALA 25 3.659 5.029 11.809 168 HB3 ALA 25 3HB ALA 25 2.040 4.515 11.276 169 H PHE 26 H PHE 26 3.075 4.701 8.323 170 HA PHE 26 HA PHE 26 5.816 5.722 8.091 171 HB2 PHE 26 1HB PHE 26 5.595 4.073 6.346 172 HB3 PHE 26 2HB PHE 26 3.890 4.410 6.125 173 HD1 PHE 26 2HD PHE 26 7.051 6.407 5.936 174 HD2 PHE 26 1HD PHE 26 3.393 5.320 4.078 175 HE1 PHE 26 2HE PHE 26 7.597 7.895 3.990 176 HE2 PHE 26 1HE PHE 26 3.940 6.808 2.132 177 HZ PHE 26 HZ PHE 26 6.035 8.078 2.112 178 H PHE 27 H PHE 27 4.991 7.646 9.228 179 HA PHE 27 HA PHE 27 2.796 9.099 8.411 180 HB2 PHE 27 1HB PHE 27 5.545 9.880 9.549 181 HB3 PHE 27 2HB PHE 27 4.203 11.006 9.480 182 HD1 PHE 27 2HD PHE 27 2.196 10.626 10.881 183 HD2 PHE 27 1HD PHE 27 5.640 8.169 11.221 184 HE1 PHE 27 2HE PHE 27 1.383 9.793 13.105 185 HE2 PHE 27 1HE PHE 27 4.826 7.336 13.444 186 HZ PHE 27 HZ PHE 27 2.708 8.158 14.360 187 H ALA 28 H ALA 28 2.341 9.951 6.439 188 HA ALA 28 HA ALA 28 4.406 10.391 4.532 189 HB1 ALA 28 1HB ALA 28 2.304 9.658 3.707 190 HB2 ALA 28 2HB ALA 28 1.416 10.885 4.642 191 HB3 ALA 28 3HB ALA 28 2.403 11.374 3.243 192 H LYS 29 H LYS 29 5.384 12.304 3.889 193 HA LYS 29 HA LYS 29 4.734 14.622 5.568 194 HB2 LYS 29 1HB LYS 29 6.992 15.271 5.464 195 HB3 LYS 29 2HB LYS 29 7.024 13.546 5.769 196 HG2 LYS 29 1HG LYS 29 8.428 13.413 3.980 197 HG3 LYS 29 2HG LYS 29 6.996 13.620 2.992 198 HD2 LYS 29 1HD LYS 29 8.086 15.449 2.159 199 HD3 LYS 29 2HD LYS 29 7.542 16.244 3.623 200 HE2 LYS 29 1HE LYS 29 9.908 14.811 4.343 201 HE3 LYS 29 2HE LYS 29 10.260 15.581 2.809 202 HZ1 LYS 29 1HZ LYS 29 9.798 16.774 5.357 203 HZ2 LYS 29 2HZ LYS 29 10.620 17.353 4.070 204 HZ3 LYS 29 3HZ LYS 29 8.997 17.517 4.144 205 H GLN 30 H GLN 30 5.206 13.371 2.260 206 HA GLN 30 HA GLN 30 4.700 16.018 1.218 207 HB2 GLN 30 1HB GLN 30 5.673 13.409 0.047 208 HB3 GLN 30 2HB GLN 30 4.980 14.611 -1.023 209 HG2 GLN 30 1HG GLN 30 6.782 15.991 0.744 210 HG3 GLN 30 2HG GLN 30 7.619 14.564 0.166 211 HE21 GLN 30 1HE2 GLN 30 8.883 15.091 -1.440 212 HE22 GLN 30 2HE2 GLN 30 8.492 16.088 -2.801 213 H ALA 31 H ALA 31 3.215 15.789 -0.986 214 HA ALA 31 HA ALA 31 0.664 14.885 0.061 215 HB1 ALA 31 1HB ALA 31 1.167 16.284 -2.578 216 HB2 ALA 31 2HB ALA 31 -0.289 16.320 -1.554 217 HB3 ALA 31 3HB ALA 31 1.184 17.177 -1.038 218 H ASP 32 H ASP 32 3.244 13.589 -1.700 219 HA ASP 32 HA ASP 32 1.526 12.063 -3.445 220 HB2 ASP 32 1HB ASP 32 3.925 11.045 -4.010 221 HB3 ASP 32 2HB ASP 32 3.437 12.601 -4.651 222 H GLU 33 H GLU 33 3.147 11.949 -0.351 223 HA GLU 33 HA GLU 33 3.347 9.091 -0.320 224 HB2 GLU 33 1HB GLU 33 3.851 11.192 1.833 225 HB3 GLU 33 2HB GLU 33 4.148 9.478 2.045 226 HG2 GLU 33 1HG GLU 33 5.984 9.465 0.604 227 HG3 GLU 33 2HG GLU 33 5.363 10.775 -0.381 228 H VAL 34 H VAL 34 2.438 8.007 1.854 229 HA VAL 34 HA VAL 34 -0.147 9.133 2.559 230 HB VAL 34 HB VAL 34 -0.740 7.838 0.662 231 HG11 VAL 34 1HG1 VAL 34 1.166 6.483 0.262 232 HG12 VAL 34 2HG1 VAL 34 1.031 5.687 1.849 233 HG13 VAL 34 3HG1 VAL 34 -0.173 5.355 0.580 234 HG21 VAL 34 1HG2 VAL 34 -1.582 7.129 3.313 235 HG22 VAL 34 2HG2 VAL 34 -2.517 7.121 1.799 236 HG23 VAL 34 3HG2 VAL 34 -1.605 5.673 2.289 237 H THR 35 H THR 35 -0.752 8.627 4.664 238 HA THR 35 HA THR 35 1.325 7.506 6.296 239 HB THR 35 HB THR 35 -1.513 8.468 6.941 240 HG1 THR 35 1HG THR 35 -0.329 10.462 7.271 241 HG21 THR 35 1HG2 THR 35 0.972 7.879 8.607 242 HG22 THR 35 2HG2 THR 35 -0.231 9.076 9.142 243 HG23 THR 35 3HG2 THR 35 -0.707 7.376 8.919 244 H LEU 36 H LEU 36 1.451 5.549 7.304 245 HA LEU 36 HA LEU 36 -0.802 3.732 6.843 246 HB2 LEU 36 1HB LEU 36 2.051 2.826 6.601 247 HB3 LEU 36 2HB LEU 36 0.587 1.996 6.114 248 HG LEU 36 HG LEU 36 1.333 4.584 4.782 249 HD11 LEU 36 1HD1 LEU 36 3.325 2.969 4.855 250 HD12 LEU 36 2HD1 LEU 36 2.365 1.939 3.766 251 HD13 LEU 36 3HD1 LEU 36 2.812 3.589 3.267 252 HD21 LEU 36 1HD2 LEU 36 -0.725 3.979 3.999 253 HD22 LEU 36 2HD2 LEU 36 0.307 3.115 2.835 254 HD23 LEU 36 3HD2 LEU 36 -0.421 2.237 4.202 255 H GLN 37 H GLN 37 -0.592 1.734 8.329 256 HA GLN 37 HA GLN 37 0.538 2.657 10.856 257 HB2 GLN 37 1HB GLN 37 -2.063 1.194 10.281 258 HB3 GLN 37 2HB GLN 37 -1.344 1.185 11.878 259 HG2 GLN 37 1HG GLN 37 -2.143 3.674 10.297 260 HG3 GLN 37 2HG GLN 37 -3.011 3.010 11.667 261 HE21 GLN 37 1HE2 GLN 37 -1.895 5.631 11.384 262 HE22 GLN 37 2HE2 GLN 37 -0.722 5.866 12.637 263 H GLN 38 H GLN 38 0.940 0.721 12.432 264 HA GLN 38 HA GLN 38 2.697 -1.006 11.130 265 HB2 GLN 38 1HB GLN 38 3.076 -0.329 13.438 266 HB3 GLN 38 2HB GLN 38 1.546 -1.011 13.951 267 HG2 GLN 38 1HG GLN 38 2.306 -3.235 13.758 268 HG3 GLN 38 2HG GLN 38 3.546 -2.823 12.589 269 HE21 GLN 38 1HE2 GLN 38 5.549 -2.593 13.252 270 HE22 GLN 38 2HE2 GLN 38 6.091 -2.406 14.886 271 H ALA 39 H ALA 39 2.402 -3.006 10.210 272 HA ALA 39 HA ALA 39 1.453 -4.925 9.635 273 HB1 ALA 39 1HB ALA 39 0.511 -4.481 12.337 274 HB2 ALA 39 2HB ALA 39 -0.762 -5.267 11.372 275 HB3 ALA 39 3HB ALA 39 0.847 -6.017 11.502 276 H ASP 40 H ASP 40 0.822 -2.649 8.208 277 HA ASP 40 HA ASP 40 -2.057 -2.867 7.845 278 HB2 ASP 40 1HB ASP 40 -0.016 -0.702 7.315 279 HB3 ASP 40 2HB ASP 40 -1.457 -0.742 6.319 280 H VAL 41 H VAL 41 -2.857 -3.141 5.609 281 HA VAL 41 HA VAL 41 -0.828 -4.328 3.860 282 HB VAL 41 HB VAL 41 -3.834 -4.652 3.943 283 HG11 VAL 41 1HG1 VAL 41 -3.161 -4.970 1.687 284 HG12 VAL 41 2HG1 VAL 41 -1.711 -5.884 2.168 285 HG13 VAL 41 3HG1 VAL 41 -3.327 -6.599 2.386 286 HG21 VAL 41 1HG2 VAL 41 -1.992 -6.927 4.491 287 HG22 VAL 41 2HG2 VAL 41 -2.131 -5.680 5.754 288 HG23 VAL 41 3HG2 VAL 41 -3.583 -6.540 5.190 289 H VAL 42 H VAL 42 -0.553 -3.603 1.738 290 HA VAL 42 HA VAL 42 -2.291 -1.427 0.869 291 HB VAL 42 HB VAL 42 0.706 -1.306 1.195 292 HG11 VAL 42 1HG1 VAL 42 0.783 0.688 -0.118 293 HG12 VAL 42 2HG1 VAL 42 -0.046 -0.546 -1.097 294 HG13 VAL 42 3HG1 VAL 42 -0.989 0.727 -0.284 295 HG21 VAL 42 1HG2 VAL 42 -1.481 0.594 2.105 296 HG22 VAL 42 2HG2 VAL 42 -0.710 -0.641 3.129 297 HG23 VAL 42 3HG2 VAL 42 0.257 0.703 2.475 298 H LEU 43 H LEU 43 -2.855 -1.645 -1.252 299 HA LEU 43 HA LEU 43 -1.673 -3.875 -2.667 300 HB2 LEU 43 1HB LEU 43 -4.125 -3.535 -2.487 301 HB3 LEU 43 2HB LEU 43 -3.968 -2.062 -3.422 302 HG LEU 43 HG LEU 43 -3.004 -3.451 -5.299 303 HD11 LEU 43 1HD1 LEU 43 -3.429 -5.572 -3.287 304 HD12 LEU 43 2HD1 LEU 43 -3.975 -5.957 -4.937 305 HD13 LEU 43 3HD1 LEU 43 -2.284 -5.480 -4.647 306 HD21 LEU 43 1HD2 LEU 43 -5.604 -4.673 -5.131 307 HD22 LEU 43 2HD2 LEU 43 -5.674 -3.005 -4.514 308 HD23 LEU 43 3HD2 LEU 43 -5.047 -3.324 -6.150 309 H VAL 44 H VAL 44 0.195 -3.538 -3.747 310 HA VAL 44 HA VAL 44 1.130 -1.005 -4.441 311 HB VAL 44 HB VAL 44 1.836 -3.768 -5.445 312 HG11 VAL 44 1HG1 VAL 44 3.497 -2.938 -6.726 313 HG12 VAL 44 2HG1 VAL 44 2.534 -1.441 -6.703 314 HG13 VAL 44 3HG1 VAL 44 3.887 -1.647 -5.565 315 HG21 VAL 44 1HG2 VAL 44 3.887 -3.135 -3.879 316 HG22 VAL 44 2HG2 VAL 44 2.666 -2.101 -3.101 317 HG23 VAL 44 3HG2 VAL 44 2.399 -3.856 -3.221 318 H LEU 45 H LEU 45 1.073 0.207 -6.343 319 HA LEU 45 HA LEU 45 -0.718 -0.862 -8.413 320 HB2 LEU 45 1HB LEU 45 -0.538 1.896 -7.219 321 HB3 LEU 45 2HB LEU 45 -1.246 1.613 -8.797 322 HG LEU 45 HG LEU 45 -2.231 0.092 -6.392 323 HD11 LEU 45 1HD1 LEU 45 -2.940 1.948 -5.404 324 HD12 LEU 45 2HD1 LEU 45 -2.392 2.955 -6.766 325 HD13 LEU 45 3HD1 LEU 45 -4.012 2.217 -6.800 326 HD21 LEU 45 1HD2 LEU 45 -3.903 -0.603 -7.714 327 HD22 LEU 45 2HD2 LEU 45 -4.093 0.988 -8.489 328 HD23 LEU 45 3HD2 LEU 45 -2.823 -0.127 -9.047 329 H GLN 46 H GLN 46 2.152 1.136 -7.580 330 HA GLN 46 HA GLN 46 3.174 0.475 -10.202 331 HB2 GLN 46 1HB GLN 46 2.347 3.156 -9.364 332 HB3 GLN 46 2HB GLN 46 4.051 3.127 -9.774 333 HG2 GLN 46 1HG GLN 46 3.659 2.608 -12.005 334 HG3 GLN 46 2HG GLN 46 2.219 1.673 -11.652 335 HE21 GLN 46 1HE2 GLN 46 0.291 2.548 -11.919 336 HE22 GLN 46 2HE2 GLN 46 -0.049 4.217 -12.238 337 H GLN 47 H GLN 47 5.181 -0.404 -9.948 338 HA GLN 47 HA GLN 47 6.515 0.152 -7.436 339 HB2 GLN 47 1HB GLN 47 6.495 -2.120 -9.385 340 HB3 GLN 47 2HB GLN 47 8.014 -1.824 -8.563 341 HG2 GLN 47 1HG GLN 47 6.804 -1.884 -6.354 342 HG3 GLN 47 2HG GLN 47 5.312 -2.244 -7.200 343 HE21 GLN 47 1HE2 GLN 47 5.001 -4.220 -6.295 344 HE22 GLN 47 2HE2 GLN 47 5.976 -5.614 -6.621 345 H GLU 48 H GLU 48 8.033 1.748 -7.439 346 HA GLU 48 HA GLU 48 9.576 2.036 -9.899 347 HB2 GLU 48 1HB GLU 48 7.860 3.927 -8.937 348 HB3 GLU 48 2HB GLU 48 9.315 4.395 -8.080 349 HG2 GLU 48 1HG GLU 48 9.490 5.615 -10.093 350 HG3 GLU 48 2HG GLU 48 10.509 4.223 -10.402 351 H ASP 49 H ASP 49 11.666 1.409 -9.604 352 HA ASP 49 HA ASP 49 12.799 0.544 -7.406 353 HB2 ASP 49 1HB ASP 49 13.692 1.312 -9.945 354 HB3 ASP 49 2HB ASP 49 14.677 2.298 -8.883 355 H GLY 50 H GLY 50 12.624 1.563 -5.377 356 HA2 GLY 50 1HA GLY 50 14.020 3.202 -4.108 357 HA3 GLY 50 2HA GLY 50 13.423 4.408 -5.230 358 H TRP 51 H TRP 51 10.700 3.497 -5.517 359 HA TRP 51 HA TRP 51 9.667 3.528 -2.789 360 HB2 TRP 51 1HB TRP 51 9.133 5.638 -4.874 361 HB3 TRP 51 2HB TRP 51 8.013 5.313 -3.566 362 HD1 TRP 51 HD TRP 51 11.739 6.402 -3.982 363 HE1 TRP 51 1HE TRP 51 12.489 7.930 -1.966 364 HE3 TRP 51 3HE TRP 51 7.403 5.974 -1.361 365 HZ2 TRP 51 2HZ TRP 51 11.213 8.770 0.445 366 HZ3 TRP 51 3HZ TRP 51 7.237 7.180 0.814 367 HH2 TRP 51 HH TRP 51 9.052 8.541 1.724 368 H LEU 52 H LEU 52 7.531 2.598 -2.669 369 HA LEU 52 HA LEU 52 6.701 1.315 -5.180 370 HB2 LEU 52 1HB LEU 52 6.189 0.137 -2.471 371 HB3 LEU 52 2HB LEU 52 6.160 -0.640 -4.042 372 HG LEU 52 HG LEU 52 8.079 -1.357 -2.711 373 HD11 LEU 52 1HD1 LEU 52 8.545 0.159 -5.261 374 HD12 LEU 52 2HD1 LEU 52 9.909 -0.602 -4.407 375 HD13 LEU 52 3HD1 LEU 52 8.541 -1.596 -4.961 376 HD21 LEU 52 1HD2 LEU 52 8.207 1.079 -1.654 377 HD22 LEU 52 2HD2 LEU 52 9.619 -0.001 -1.725 378 HD23 LEU 52 3HD2 LEU 52 9.428 1.293 -2.932 379 H TYR 53 H TYR 53 4.785 2.031 -5.928 380 HA TYR 53 HA TYR 53 3.103 3.548 -4.106 381 HB2 TYR 53 1HB TYR 53 3.852 4.215 -6.504 382 HB3 TYR 53 2HB TYR 53 2.903 2.871 -7.105 383 HD1 TYR 53 1HD TYR 53 2.421 5.811 -4.809 384 HD2 TYR 53 2HD TYR 53 0.805 3.383 -7.939 385 HE1 TYR 53 1HE TYR 53 0.364 7.302 -4.915 386 HE2 TYR 53 2HE TYR 53 -1.245 4.882 -8.034 387 HH TYR 53 HH TYR 53 -2.413 6.410 -6.800 388 H GLY 54 H GLY 54 0.942 3.040 -3.615 389 HA2 GLY 54 1HA GLY 54 -0.376 0.794 -4.808 390 HA3 GLY 54 2HA GLY 54 0.248 0.422 -3.213 391 H GLU 55 H GLU 55 -2.273 0.175 -2.991 392 HA GLU 55 HA GLU 55 -3.240 2.757 -2.046 393 HB2 GLU 55 1HB GLU 55 -4.541 2.382 -4.000 394 HB3 GLU 55 2HB GLU 55 -4.682 0.662 -3.694 395 HG2 GLU 55 1HG GLU 55 -5.770 2.267 -1.472 396 HG3 GLU 55 2HG GLU 55 -6.558 2.638 -2.993 397 H ARG 56 H ARG 56 -3.962 2.764 0.064 398 HA ARG 56 HA ARG 56 -3.513 0.464 1.580 399 HB2 ARG 56 1HB ARG 56 -3.475 3.019 2.247 400 HB3 ARG 56 2HB ARG 56 -5.194 2.819 2.522 401 HG2 ARG 56 1HG ARG 56 -4.875 1.285 4.295 402 HG3 ARG 56 2HG ARG 56 -3.273 0.828 3.751 403 HD2 ARG 56 1HD ARG 56 -3.371 2.343 5.833 404 HD3 ARG 56 2HD ARG 56 -2.287 2.861 4.558 405 HE ARG 56 HE ARG 56 -4.587 4.166 3.864 406 HH11 ARG 56 2HH2 ARG 56 -2.896 3.885 6.937 407 HH12 ARG 56 1HH2 ARG 56 -3.428 5.428 7.517 408 HH21 ARG 56 2HH1 ARG 56 -5.288 6.203 4.628 409 HH22 ARG 56 1HH1 ARG 56 -4.798 6.755 6.194 410 H LEU 57 H LEU 57 -4.867 -1.289 1.798 411 HA LEU 57 HA LEU 57 -7.479 -1.246 0.743 412 HB2 LEU 57 1HB LEU 57 -5.979 -3.233 2.445 413 HB3 LEU 57 2HB LEU 57 -7.595 -3.518 1.830 414 HG LEU 57 HG LEU 57 -6.170 -4.631 0.342 415 HD11 LEU 57 1HD1 LEU 57 -7.901 -2.954 -0.636 416 HD12 LEU 57 2HD1 LEU 57 -6.463 -2.052 -1.171 417 HD13 LEU 57 3HD1 LEU 57 -6.716 -3.727 -1.717 418 HD21 LEU 57 1HD2 LEU 57 -4.083 -3.994 -0.375 419 HD22 LEU 57 2HD2 LEU 57 -4.437 -2.255 -0.230 420 HD23 LEU 57 3HD2 LEU 57 -4.138 -3.227 1.231 421 H ARG 58 H ARG 58 -6.172 -0.009 3.640 422 HA ARG 58 HA ARG 58 -8.164 -0.670 5.430 423 HB2 ARG 58 1HB ARG 58 -5.944 0.380 6.006 424 HB3 ARG 58 2HB ARG 58 -6.490 1.891 5.306 425 HG2 ARG 58 1HG ARG 58 -7.870 2.384 7.090 426 HG3 ARG 58 2HG ARG 58 -8.343 0.713 7.327 427 HD2 ARG 58 1HD ARG 58 -6.057 0.250 8.318 428 HD3 ARG 58 2HD ARG 58 -5.676 1.953 8.164 429 HE ARG 58 HE ARG 58 -7.092 2.432 9.983 430 HH11 ARG 58 2HH2 ARG 58 -7.626 -0.871 8.893 431 HH12 ARG 58 1HH2 ARG 58 -8.611 -1.296 10.253 432 HH21 ARG 58 2HH1 ARG 58 -8.391 1.871 11.777 433 HH22 ARG 58 1HH1 ARG 58 -9.049 0.274 11.904 434 H ASP 59 H ASP 59 -7.651 2.510 3.713 435 HA ASP 59 HA ASP 59 -10.536 2.876 3.899 436 HB2 ASP 59 1HB ASP 59 -8.614 4.529 4.882 437 HB3 ASP 59 2HB ASP 59 -8.693 5.163 3.250 438 H GLY 60 H GLY 60 -7.657 2.651 1.863 439 HA2 GLY 60 1HA GLY 60 -7.965 1.991 -0.421 440 HA3 GLY 60 2HA GLY 60 -9.331 3.082 -0.533 441 H GLU 61 H GLU 61 -6.878 4.484 1.406 442 HA GLU 61 HA GLU 61 -6.447 6.535 -0.389 443 HB2 GLU 61 1HB GLU 61 -5.801 5.947 2.297 444 HB3 GLU 61 2HB GLU 61 -4.251 6.215 1.523 445 HG2 GLU 61 1HG GLU 61 -5.854 8.265 0.469 446 HG3 GLU 61 2HG GLU 61 -6.400 8.147 2.130 447 H THR 62 H THR 62 -5.065 6.798 -2.106 448 HA THR 62 HA THR 62 -3.052 4.683 -2.487 449 HB THR 62 HB THR 62 -4.038 6.471 -4.712 450 HG1 THR 62 1HG THR 62 -5.411 4.284 -3.318 451 HG21 THR 62 1HG2 THR 62 -3.037 3.654 -4.328 452 HG22 THR 62 2HG2 THR 62 -4.255 3.915 -5.599 453 HG23 THR 62 3HG2 THR 62 -2.708 4.795 -5.654 454 H GLY 63 H GLY 63 -1.045 5.249 -1.955 455 HA2 GLY 63 1HA GLY 63 -0.089 7.874 -2.843 456 HA3 GLY 63 2HA GLY 63 0.018 7.492 -1.136 457 H TRP 64 H TRP 64 2.424 7.910 -1.947 458 HA TRP 64 HA TRP 64 3.549 5.484 -3.107 459 HB2 TRP 64 1HB TRP 64 4.570 8.273 -2.646 460 HB3 TRP 64 2HB TRP 64 5.676 6.949 -2.954 461 HD1 TRP 64 HD TRP 64 3.145 9.175 -4.748 462 HE1 TRP 64 1HE TRP 64 3.197 8.808 -7.360 463 HE3 TRP 64 3HE TRP 64 6.152 5.076 -4.640 464 HZ2 TRP 64 2HZ TRP 64 4.462 6.888 -9.051 465 HZ3 TRP 64 3HZ TRP 64 6.748 4.016 -6.816 466 HH2 TRP 64 HH TRP 64 5.954 4.857 -8.969 467 H PHE 65 H PHE 65 4.592 3.968 -1.856 468 HA PHE 65 HA PHE 65 5.311 4.775 0.866 469 HB2 PHE 65 1HB PHE 65 4.187 2.822 1.719 470 HB3 PHE 65 2HB PHE 65 3.071 3.424 0.510 471 HD1 PHE 65 1HD PHE 65 5.877 1.009 0.920 472 HD2 PHE 65 2HD PHE 65 2.318 2.001 -1.166 473 HE1 PHE 65 1HE PHE 65 5.938 -1.215 -0.242 474 HE2 PHE 65 2HE PHE 65 2.379 -0.222 -2.328 475 HZ PHE 65 HZ PHE 65 4.189 -1.804 -1.853 476 HA PRO 66 HA PRO 66 8.997 2.788 -0.328 477 HB2 PRO 66 1HB PRO 66 10.363 3.031 2.026 478 HB3 PRO 66 2HB PRO 66 10.275 4.311 0.833 479 HG2 PRO 66 1HG PRO 66 8.866 4.090 3.422 480 HG3 PRO 66 2HG PRO 66 9.127 5.513 2.432 481 HD2 PRO 66 1HD PRO 66 6.694 4.013 2.674 482 HD3 PRO 66 2HD PRO 66 6.990 5.364 1.598 483 H GLU 67 H GLU 67 10.203 0.845 -0.156 484 HA GLU 67 HA GLU 67 8.546 -1.197 0.856 485 HB2 GLU 67 1HB GLU 67 10.626 -2.634 0.222 486 HB3 GLU 67 2HB GLU 67 9.765 -1.808 -1.062 487 HG2 GLU 67 1HG GLU 67 11.544 -0.461 -1.547 488 HG3 GLU 67 2HG GLU 67 11.840 -0.095 0.141 489 H ASP 68 H ASP 68 11.466 0.531 1.979 490 HA ASP 68 HA ASP 68 12.389 -1.160 3.859 491 HB2 ASP 68 1HB ASP 68 12.509 1.680 3.294 492 HB3 ASP 68 2HB ASP 68 12.348 1.473 5.026 493 H PHE 69 H PHE 69 9.362 0.652 3.754 494 HA PHE 69 HA PHE 69 8.861 0.035 6.575 495 HB2 PHE 69 1HB PHE 69 7.616 1.945 4.510 496 HB3 PHE 69 2HB PHE 69 6.947 1.730 6.115 497 HD1 PHE 69 1HD PHE 69 10.073 2.736 4.367 498 HD2 PHE 69 2HD PHE 69 7.719 3.035 7.886 499 HE1 PHE 69 1HE PHE 69 11.614 4.511 5.248 500 HE2 PHE 69 2HE PHE 69 9.260 4.810 8.766 501 HZ PHE 69 HZ PHE 69 11.189 5.527 7.437 502 H ALA 70 H ALA 70 8.770 -2.008 4.450 503 HA ALA 70 HA ALA 70 6.219 -3.069 5.056 504 HB1 ALA 70 1HB ALA 70 5.002 -2.637 3.190 505 HB2 ALA 70 2HB ALA 70 6.124 -1.272 2.974 506 HB3 ALA 70 3HB ALA 70 6.412 -2.804 2.116 507 H ARG 71 H ARG 71 5.960 -5.267 3.966 508 HA ARG 71 HA ARG 71 8.550 -6.256 3.104 509 HB2 ARG 71 1HB ARG 71 6.787 -7.305 5.342 510 HB3 ARG 71 2HB ARG 71 7.795 -8.429 4.452 511 HG2 ARG 71 1HG ARG 71 9.760 -6.790 4.930 512 HG3 ARG 71 2HG ARG 71 8.690 -6.019 6.084 513 HD2 ARG 71 1HD ARG 71 8.358 -8.600 6.880 514 HD3 ARG 71 2HD ARG 71 9.966 -8.739 6.197 515 HE ARG 71 HE ARG 71 10.029 -6.421 7.791 516 HH11 ARG 71 2HH2 ARG 71 9.425 -9.853 8.282 517 HH12 ARG 71 1HH2 ARG 71 10.001 -9.851 9.916 518 HH21 ARG 71 2HH1 ARG 71 10.788 -6.418 9.947 519 HH22 ARG 71 1HH1 ARG 71 10.782 -7.884 10.869 520 H PHE 72 H PHE 72 8.244 -7.076 1.057 521 HA PHE 72 HA PHE 72 5.803 -7.486 -0.114 522 HB2 PHE 72 1HB PHE 72 8.684 -8.273 -0.504 523 HB3 PHE 72 2HB PHE 72 7.539 -9.247 -1.405 524 HD1 PHE 72 1HD PHE 72 5.929 -8.063 -2.976 525 HD2 PHE 72 2HD PHE 72 9.293 -6.130 -1.258 526 HE1 PHE 72 1HE PHE 72 5.817 -6.291 -4.751 527 HE2 PHE 72 2HE PHE 72 9.182 -4.359 -3.032 528 HZ PHE 72 HZ PHE 72 7.445 -4.460 -4.757 529 H ILE 73 H ILE 73 4.217 -8.810 0.691 530 HA ILE 73 HA ILE 73 4.714 -11.108 2.180 531 HB ILE 73 HB ILE 73 2.282 -10.275 0.596 532 HG12 ILE 73 1HG1 ILE 73 3.089 -9.796 3.478 533 HG13 ILE 73 2HG1 ILE 73 2.917 -8.591 2.217 534 HG21 ILE 73 1HG2 ILE 73 1.871 -11.952 2.960 535 HG22 ILE 73 2HG2 ILE 73 1.162 -12.061 1.331 536 HG23 ILE 73 3HG2 ILE 73 2.761 -12.773 1.655 537 HD11 ILE 73 1HD1 ILE 73 0.632 -10.387 3.145 538 HD12 ILE 73 2HD1 ILE 73 0.926 -8.747 3.771 539 HD13 ILE 73 3HD1 ILE 73 0.517 -8.985 2.055 540 H SER 74 H SER 74 3.394 -10.932 -1.206 541 HA SER 74 HA SER 74 5.046 -13.247 -1.784 542 HB2 SER 74 1HB SER 74 2.211 -13.324 -1.466 543 HB3 SER 74 2HB SER 74 2.507 -13.444 -3.189 544 HG SER 74 HG SER 74 3.400 -15.398 -2.948 545 H GLY 75 H GLY 75 6.398 -12.501 -3.382 546 HA2 GLY 75 1HA GLY 75 5.237 -10.693 -5.414 547 HA3 GLY 75 2HA GLY 75 6.910 -10.692 -4.892 548 HA PRO 76 HA PRO 76 6.876 -13.297 -8.557 549 HB2 PRO 76 1HB PRO 76 9.127 -12.264 -9.713 550 HB3 PRO 76 2HB PRO 76 7.513 -11.676 -10.063 551 HG2 PRO 76 1HG PRO 76 9.621 -10.429 -8.408 552 HG3 PRO 76 2HG PRO 76 8.196 -9.690 -9.110 553 HD2 PRO 76 1HD PRO 76 8.565 -10.439 -6.366 554 HD3 PRO 76 2HD PRO 76 7.100 -9.807 -7.093 555 H SER 77 H SER 77 7.302 -15.341 -8.013 556 HA SER 77 HA SER 77 10.015 -16.033 -7.831 557 HB2 SER 77 1HB SER 77 9.282 -15.083 -5.455 558 HB3 SER 77 2HB SER 77 8.531 -16.656 -5.273 559 HG SER 77 HG SER 77 11.324 -16.159 -5.868 560 H SER 78 H SER 78 9.745 -17.735 -9.257 561 HA SER 78 HA SER 78 7.404 -19.232 -9.370 562 HB2 SER 78 1HB SER 78 10.099 -19.282 -10.621 563 HB3 SER 78 2HB SER 78 9.318 -20.850 -10.545 564 HG SER 78 HG SER 78 7.987 -20.255 -12.108 565 H GLY 79 H GLY 79 7.212 -21.634 -8.955 566 HA2 GLY 79 1HA GLY 79 7.535 -23.512 -7.733 567 HA3 GLY 79 2HA GLY 79 9.083 -22.896 -7.191 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -6.174 22.188 -5.517 2 HA2 GLY 1 1HA GLY 1 -7.342 20.097 -3.979 3 HA3 GLY 1 2HA GLY 1 -7.870 20.700 -5.537 4 H SER 2 H SER 2 -8.164 18.065 -5.345 5 HA SER 2 HA SER 2 -6.332 17.106 -7.262 6 HB2 SER 2 1HB SER 2 -5.556 16.701 -4.584 7 HB3 SER 2 2HB SER 2 -6.270 15.171 -5.053 8 HG SER 2 HG SER 2 -3.871 16.336 -5.865 9 H SER 3 H SER 3 -7.476 15.699 -8.569 10 HA SER 3 HA SER 3 -9.265 13.831 -7.517 11 HB2 SER 3 1HB SER 3 -10.371 16.471 -8.311 12 HB3 SER 3 2HB SER 3 -11.180 15.108 -9.057 13 HG SER 3 HG SER 3 -12.251 15.372 -7.129 14 H GLY 4 H GLY 4 -10.381 12.596 -9.361 15 HA2 GLY 4 1HA GLY 4 -10.204 12.913 -12.001 16 HA3 GLY 4 2HA GLY 4 -8.551 12.474 -11.619 17 H SER 5 H SER 5 -11.911 11.376 -11.784 18 HA SER 5 HA SER 5 -11.055 8.720 -12.067 19 HB2 SER 5 1HB SER 5 -12.235 7.752 -10.100 20 HB3 SER 5 2HB SER 5 -10.886 8.765 -9.626 21 HG SER 5 HG SER 5 -13.409 10.051 -9.854 22 H SER 6 H SER 6 -12.281 8.893 -14.014 23 HA SER 6 HA SER 6 -14.967 8.233 -13.762 24 HB2 SER 6 1HB SER 6 -14.513 11.033 -13.653 25 HB3 SER 6 2HB SER 6 -15.087 10.724 -15.280 26 HG SER 6 HG SER 6 -16.695 11.089 -13.386 27 H GLY 7 H GLY 7 -15.531 7.120 -15.633 28 HA2 GLY 7 1HA GLY 7 -15.550 7.143 -18.066 29 HA3 GLY 7 2HA GLY 7 -13.866 7.625 -18.026 30 H TRP 8 H TRP 8 -12.279 6.058 -18.023 31 HA TRP 8 HA TRP 8 -12.911 3.420 -17.024 32 HB2 TRP 8 1HB TRP 8 -13.496 3.822 -19.631 33 HB3 TRP 8 2HB TRP 8 -11.804 3.385 -19.769 34 HD1 TRP 8 HD TRP 8 -11.142 0.839 -18.886 35 HE1 TRP 8 1HE TRP 8 -12.502 -1.413 -18.689 36 HE3 TRP 8 3HE TRP 8 -15.745 2.986 -19.127 37 HZ2 TRP 8 2HZ TRP 8 -15.288 -2.031 -18.656 38 HZ3 TRP 8 3HZ TRP 8 -17.733 1.486 -19.005 39 HH2 TRP 8 HH TRP 8 -17.559 -0.941 -18.778 40 H GLN 9 H GLN 9 -11.282 3.934 -15.456 41 HA GLN 9 HA GLN 9 -8.715 4.735 -16.451 42 HB2 GLN 9 1HB GLN 9 -9.864 4.256 -13.681 43 HB3 GLN 9 2HB GLN 9 -8.148 4.524 -13.914 44 HG2 GLN 9 1HG GLN 9 -10.239 6.434 -15.038 45 HG3 GLN 9 2HG GLN 9 -9.614 6.603 -13.410 46 HE21 GLN 9 1HE2 GLN 9 -8.927 6.778 -16.812 47 HE22 GLN 9 2HE2 GLN 9 -7.400 7.590 -16.724 48 H GLY 10 H GLY 10 -6.874 3.437 -16.613 49 HA2 GLY 10 1HA GLY 10 -5.632 1.566 -16.696 50 HA3 GLY 10 2HA GLY 10 -6.557 0.950 -15.341 51 H LEU 11 H LEU 11 -5.822 0.521 -18.636 52 HA LEU 11 HA LEU 11 -8.171 -1.217 -18.941 53 HB2 LEU 11 1HB LEU 11 -7.691 1.029 -20.415 54 HB3 LEU 11 2HB LEU 11 -6.905 -0.193 -21.395 55 HG LEU 11 HG LEU 11 -9.760 -0.466 -20.434 56 HD11 LEU 11 1HD1 LEU 11 -9.688 1.570 -21.709 57 HD12 LEU 11 2HD1 LEU 11 -8.746 0.785 -22.999 58 HD13 LEU 11 3HD1 LEU 11 -10.432 0.296 -22.705 59 HD21 LEU 11 1HD2 LEU 11 -9.972 -2.244 -21.904 60 HD22 LEU 11 2HD2 LEU 11 -8.570 -1.745 -22.880 61 HD23 LEU 11 3HD2 LEU 11 -8.322 -2.461 -21.270 62 H SER 12 H SER 12 -7.733 -3.339 -19.327 63 HA SER 12 HA SER 12 -6.472 -5.138 -19.271 64 HB2 SER 12 1HB SER 12 -6.075 -3.737 -21.826 65 HB3 SER 12 2HB SER 12 -4.751 -4.830 -21.473 66 HG SER 12 HG SER 12 -7.301 -5.907 -20.964 67 H SER 13 H SER 13 -5.320 -4.556 -17.252 68 HA SER 13 HA SER 13 -2.604 -4.874 -17.484 69 HB2 SER 13 1HB SER 13 -3.461 -2.091 -17.720 70 HB3 SER 13 2HB SER 13 -2.464 -2.302 -16.294 71 HG SER 13 HG SER 13 -0.764 -3.104 -17.563 72 H LYS 14 H LYS 14 -4.906 -2.880 -15.478 73 HA LYS 14 HA LYS 14 -3.841 -3.523 -13.023 74 HB2 LYS 14 1HB LYS 14 -5.469 -1.726 -13.441 75 HB3 LYS 14 2HB LYS 14 -6.723 -2.911 -13.744 76 HG2 LYS 14 1HG LYS 14 -6.809 -3.608 -11.489 77 HG3 LYS 14 2HG LYS 14 -5.179 -3.062 -11.147 78 HD2 LYS 14 1HD LYS 14 -5.859 -0.929 -10.652 79 HD3 LYS 14 2HD LYS 14 -6.979 -0.868 -11.998 80 HE2 LYS 14 1HE LYS 14 -7.885 -2.776 -9.954 81 HE3 LYS 14 2HE LYS 14 -7.638 -1.184 -9.266 82 HZ1 LYS 14 1HZ LYS 14 -9.345 -1.876 -11.547 83 HZ2 LYS 14 2HZ LYS 14 -9.804 -1.251 -10.109 84 HZ3 LYS 14 3HZ LYS 14 -8.966 -0.333 -11.169 85 H GLY 15 H GLY 15 -4.671 -4.988 -11.316 86 HA2 GLY 15 1HA GLY 15 -6.060 -6.895 -10.810 87 HA3 GLY 15 2HA GLY 15 -5.834 -7.457 -12.455 88 H ASP 16 H ASP 16 -5.214 -8.887 -9.937 89 HA ASP 16 HA ASP 16 -3.598 -9.928 -8.890 90 HB2 ASP 16 1HB ASP 16 -2.138 -10.121 -11.542 91 HB3 ASP 16 2HB ASP 16 -2.284 -11.343 -10.295 92 H LEU 17 H LEU 17 -2.867 -7.779 -7.883 93 HA LEU 17 HA LEU 17 -0.250 -6.967 -8.941 94 HB2 LEU 17 1HB LEU 17 -2.451 -5.448 -7.583 95 HB3 LEU 17 2HB LEU 17 -0.794 -4.886 -7.478 96 HG LEU 17 HG LEU 17 -2.394 -5.290 -10.020 97 HD11 LEU 17 1HD1 LEU 17 -1.333 -2.696 -8.894 98 HD12 LEU 17 2HD1 LEU 17 -2.510 -2.940 -10.207 99 HD13 LEU 17 3HD1 LEU 17 -2.959 -3.317 -8.526 100 HD21 LEU 17 1HD2 LEU 17 -0.375 -4.068 -11.040 101 HD22 LEU 17 2HD2 LEU 17 0.501 -4.581 -9.577 102 HD23 LEU 17 3HD2 LEU 17 -0.209 -5.800 -10.663 103 HA PRO 18 HA PRO 18 1.525 -8.252 -5.225 104 HB2 PRO 18 1HB PRO 18 3.576 -6.483 -4.855 105 HB3 PRO 18 2HB PRO 18 3.659 -7.826 -5.978 106 HG2 PRO 18 1HG PRO 18 3.289 -4.950 -6.552 107 HG3 PRO 18 2HG PRO 18 3.794 -6.229 -7.637 108 HD2 PRO 18 1HD PRO 18 1.199 -5.013 -7.508 109 HD3 PRO 18 2HD PRO 18 1.672 -6.369 -8.511 110 H GLN 19 H GLN 19 1.877 -7.972 -2.931 111 HA GLN 19 HA GLN 19 0.688 -5.491 -2.012 112 HB2 GLN 19 1HB GLN 19 -0.157 -8.255 -1.034 113 HB3 GLN 19 2HB GLN 19 -0.715 -6.732 -0.371 114 HG2 GLN 19 1HG GLN 19 -1.511 -6.156 -2.777 115 HG3 GLN 19 2HG GLN 19 -1.232 -7.843 -3.160 116 HE21 GLN 19 1HE2 GLN 19 -2.585 -6.021 -0.408 117 HE22 GLN 19 2HE2 GLN 19 -4.063 -6.911 -0.262 118 H VAL 20 H VAL 20 1.530 -4.733 -0.021 119 HA VAL 20 HA VAL 20 3.520 -6.477 1.241 120 HB VAL 20 HB VAL 20 5.066 -4.645 1.406 121 HG11 VAL 20 1HG1 VAL 20 4.622 -4.258 -1.441 122 HG12 VAL 20 2HG1 VAL 20 5.922 -5.136 -0.599 123 HG13 VAL 20 3HG1 VAL 20 4.389 -5.960 -0.973 124 HG21 VAL 20 1HG2 VAL 20 3.066 -2.925 1.371 125 HG22 VAL 20 2HG2 VAL 20 4.684 -2.453 0.797 126 HG23 VAL 20 3HG2 VAL 20 3.414 -2.882 -0.374 127 H GLU 21 H GLU 21 3.653 -6.290 3.502 128 HA GLU 21 HA GLU 21 1.450 -4.761 4.618 129 HB2 GLU 21 1HB GLU 21 1.452 -7.184 5.094 130 HB3 GLU 21 2HB GLU 21 3.064 -7.078 5.771 131 HG2 GLU 21 1HG GLU 21 2.242 -5.562 7.560 132 HG3 GLU 21 2HG GLU 21 0.634 -5.583 6.864 133 H ILE 22 H ILE 22 1.884 -2.883 5.691 134 HA ILE 22 HA ILE 22 4.521 -1.983 6.004 135 HB ILE 22 HB ILE 22 1.973 -0.969 7.269 136 HG12 ILE 22 1HG1 ILE 22 1.491 -0.937 4.997 137 HG13 ILE 22 2HG1 ILE 22 2.130 0.669 5.285 138 HG21 ILE 22 1HG2 ILE 22 3.660 1.174 6.763 139 HG22 ILE 22 2HG2 ILE 22 3.330 0.429 8.346 140 HG23 ILE 22 3HG2 ILE 22 4.746 -0.085 7.398 141 HD11 ILE 22 1HD1 ILE 22 3.397 -1.652 3.841 142 HD12 ILE 22 2HD1 ILE 22 3.356 0.072 3.397 143 HD13 ILE 22 3HD1 ILE 22 4.461 -0.493 4.674 144 H THR 23 H THR 23 6.002 -2.273 7.595 145 HA THR 23 HA THR 23 5.200 -3.930 9.845 146 HB THR 23 HB THR 23 7.648 -4.163 10.126 147 HG1 THR 23 1HG THR 23 8.326 -2.035 9.595 148 HG21 THR 23 1HG2 THR 23 6.293 -5.011 7.831 149 HG22 THR 23 2HG2 THR 23 7.667 -4.100 7.160 150 HG23 THR 23 3HG2 THR 23 7.959 -5.470 8.259 151 H LYS 24 H LYS 24 5.737 -0.573 9.079 152 HA LYS 24 HA LYS 24 5.150 0.078 11.823 153 HB2 LYS 24 1HB LYS 24 7.088 1.585 12.076 154 HB3 LYS 24 2HB LYS 24 7.549 -0.103 11.984 155 HG2 LYS 24 1HG LYS 24 7.720 0.465 9.350 156 HG3 LYS 24 2HG LYS 24 7.953 2.092 9.958 157 HD2 LYS 24 1HD LYS 24 9.727 1.009 11.566 158 HD3 LYS 24 2HD LYS 24 9.653 -0.371 10.489 159 HE2 LYS 24 1HE LYS 24 10.970 0.675 8.963 160 HE3 LYS 24 2HE LYS 24 9.881 2.046 8.894 161 HZ1 LYS 24 1HZ LYS 24 10.980 2.682 11.086 162 HZ2 LYS 24 2HZ LYS 24 12.166 1.643 10.661 163 HZ3 LYS 24 3HZ LYS 24 11.821 2.923 9.707 164 H ALA 25 H ALA 25 4.209 2.163 12.031 165 HA ALA 25 HA ALA 25 2.778 3.038 9.838 166 HB1 ALA 25 1HB ALA 25 2.131 4.879 11.262 167 HB2 ALA 25 2HB ALA 25 2.314 3.438 12.290 168 HB3 ALA 25 3HB ALA 25 3.587 4.682 12.267 169 H PHE 26 H PHE 26 3.206 4.362 8.123 170 HA PHE 26 HA PHE 26 5.833 5.667 8.156 171 HB2 PHE 26 1HB PHE 26 5.731 4.041 6.378 172 HB3 PHE 26 2HB PHE 26 4.031 4.346 6.081 173 HD1 PHE 26 1HD PHE 26 7.204 6.330 6.029 174 HD2 PHE 26 2HD PHE 26 3.561 5.363 4.079 175 HE1 PHE 26 1HE PHE 26 7.810 7.865 4.137 176 HE2 PHE 26 2HE PHE 26 4.167 6.898 2.187 177 HZ PHE 26 HZ PHE 26 6.283 8.130 2.238 178 H PHE 27 H PHE 27 5.185 7.660 9.104 179 HA PHE 27 HA PHE 27 2.893 9.049 8.317 180 HB2 PHE 27 1HB PHE 27 5.621 9.834 9.496 181 HB3 PHE 27 2HB PHE 27 4.305 10.984 9.364 182 HD1 PHE 27 2HD PHE 27 2.252 10.676 10.715 183 HD2 PHE 27 1HD PHE 27 5.634 8.160 11.207 184 HE1 PHE 27 2HE PHE 27 1.359 9.910 12.933 185 HE2 PHE 27 1HE PHE 27 4.741 7.395 13.425 186 HZ PHE 27 HZ PHE 27 2.615 8.279 14.261 187 H ALA 28 H ALA 28 2.600 9.385 6.112 188 HA ALA 28 HA ALA 28 4.447 9.829 4.202 189 HB1 ALA 28 1HB ALA 28 2.161 9.578 3.600 190 HB2 ALA 28 2HB ALA 28 1.660 10.960 4.603 191 HB3 ALA 28 3HB ALA 28 2.589 11.234 3.110 192 H LYS 29 H LYS 29 5.802 11.463 3.522 193 HA LYS 29 HA LYS 29 5.763 13.877 5.192 194 HB2 LYS 29 1HB LYS 29 8.101 13.999 5.010 195 HB3 LYS 29 2HB LYS 29 7.761 12.309 5.325 196 HG2 LYS 29 1HG LYS 29 9.050 11.884 3.492 197 HG3 LYS 29 2HG LYS 29 7.652 12.374 2.556 198 HD2 LYS 29 1HD LYS 29 8.664 14.289 1.849 199 HD3 LYS 29 2HD LYS 29 9.184 14.708 3.470 200 HE2 LYS 29 1HE LYS 29 11.226 14.375 2.310 201 HE3 LYS 29 2HE LYS 29 11.007 12.870 3.181 202 HZ1 LYS 29 1HZ LYS 29 9.683 12.557 0.811 203 HZ2 LYS 29 2HZ LYS 29 11.084 13.294 0.410 204 HZ3 LYS 29 3HZ LYS 29 11.110 11.883 1.231 205 H GLN 30 H GLN 30 5.819 12.517 1.894 206 HA GLN 30 HA GLN 30 5.885 15.197 0.818 207 HB2 GLN 30 1HB GLN 30 6.291 12.430 -0.270 208 HB3 GLN 30 2HB GLN 30 5.672 13.633 -1.384 209 HG2 GLN 30 1HG GLN 30 7.815 14.846 0.127 210 HG3 GLN 30 2HG GLN 30 8.379 13.291 -0.450 211 HE21 GLN 30 1HE2 GLN 30 9.831 14.419 -1.800 212 HE22 GLN 30 2HE2 GLN 30 9.333 15.107 -3.309 213 H ALA 31 H ALA 31 4.309 15.064 -1.439 214 HA ALA 31 HA ALA 31 1.659 14.910 -0.240 215 HB1 ALA 31 1HB ALA 31 2.553 16.057 -2.914 216 HB2 ALA 31 2HB ALA 31 0.988 16.313 -2.105 217 HB3 ALA 31 3HB ALA 31 2.477 16.985 -1.397 218 H ASP 32 H ASP 32 3.804 12.968 -2.019 219 HA ASP 32 HA ASP 32 1.662 11.740 -3.526 220 HB2 ASP 32 1HB ASP 32 4.488 12.103 -3.905 221 HB3 ASP 32 2HB ASP 32 4.214 10.377 -3.772 222 H GLU 33 H GLU 33 3.630 11.442 -0.635 223 HA GLU 33 HA GLU 33 3.438 8.633 -0.407 224 HB2 GLU 33 1HB GLU 33 4.139 10.813 1.604 225 HB3 GLU 33 2HB GLU 33 4.224 9.102 1.972 226 HG2 GLU 33 1HG GLU 33 5.947 8.720 0.334 227 HG3 GLU 33 2HG GLU 33 5.667 10.267 -0.441 228 H VAL 34 H VAL 34 2.466 7.792 1.883 229 HA VAL 34 HA VAL 34 -0.021 9.143 2.500 230 HB VAL 34 HB VAL 34 -0.771 7.846 0.681 231 HG11 VAL 34 1HG1 VAL 34 1.014 6.360 0.235 232 HG12 VAL 34 2HG1 VAL 34 0.907 5.614 1.848 233 HG13 VAL 34 3HG1 VAL 34 -0.371 5.320 0.645 234 HG21 VAL 34 1HG2 VAL 34 -1.516 5.846 2.736 235 HG22 VAL 34 2HG2 VAL 34 -1.812 7.546 3.176 236 HG23 VAL 34 3HG2 VAL 34 -2.540 6.869 1.699 237 H THR 35 H THR 35 -0.661 8.782 4.625 238 HA THR 35 HA THR 35 1.307 7.673 6.345 239 HB THR 35 HB THR 35 -1.586 8.531 6.879 240 HG1 THR 35 1HG THR 35 0.985 9.929 7.057 241 HG21 THR 35 1HG2 THR 35 0.788 8.871 8.736 242 HG22 THR 35 2HG2 THR 35 -0.945 8.816 9.137 243 HG23 THR 35 3HG2 THR 35 -0.081 7.318 8.717 244 H LEU 36 H LEU 36 1.514 5.713 7.293 245 HA LEU 36 HA LEU 36 -0.703 3.840 6.888 246 HB2 LEU 36 1HB LEU 36 2.155 2.978 6.585 247 HB3 LEU 36 2HB LEU 36 0.691 2.145 6.103 248 HG LEU 36 HG LEU 36 1.488 4.745 4.802 249 HD11 LEU 36 1HD1 LEU 36 2.294 2.071 3.674 250 HD12 LEU 36 2HD1 LEU 36 2.852 3.701 3.225 251 HD13 LEU 36 3HD1 LEU 36 3.361 2.980 4.771 252 HD21 LEU 36 1HD2 LEU 36 -0.654 4.273 4.125 253 HD22 LEU 36 2HD2 LEU 36 0.287 3.440 2.864 254 HD23 LEU 36 3HD2 LEU 36 -0.416 2.511 4.210 255 H GLN 37 H GLN 37 -0.379 1.837 8.363 256 HA GLN 37 HA GLN 37 0.826 2.775 10.850 257 HB2 GLN 37 1HB GLN 37 -1.846 1.435 10.355 258 HB3 GLN 37 2HB GLN 37 -1.055 1.266 11.909 259 HG2 GLN 37 1HG GLN 37 -1.635 3.955 10.581 260 HG3 GLN 37 2HG GLN 37 -2.683 3.210 11.770 261 HE21 GLN 37 1HE2 GLN 37 -0.469 5.502 11.401 262 HE22 GLN 37 2HE2 GLN 37 0.292 5.542 12.956 263 H GLN 38 H GLN 38 0.940 0.663 12.444 264 HA GLN 38 HA GLN 38 2.749 -1.036 11.104 265 HB2 GLN 38 1HB GLN 38 3.143 -0.407 13.426 266 HB3 GLN 38 2HB GLN 38 1.597 -1.064 13.924 267 HG2 GLN 38 1HG GLN 38 2.391 -3.352 13.126 268 HG3 GLN 38 2HG GLN 38 3.968 -2.647 12.831 269 HE21 GLN 38 1HE2 GLN 38 5.333 -2.211 14.474 270 HE22 GLN 38 2HE2 GLN 38 5.046 -2.607 16.136 271 H ALA 39 H ALA 39 2.368 -2.972 10.098 272 HA ALA 39 HA ALA 39 1.373 -4.867 9.510 273 HB1 ALA 39 1HB ALA 39 0.678 -5.992 11.323 274 HB2 ALA 39 2HB ALA 39 0.480 -4.466 12.217 275 HB3 ALA 39 3HB ALA 39 -0.870 -5.117 11.257 276 H ASP 40 H ASP 40 0.826 -2.545 8.121 277 HA ASP 40 HA ASP 40 -2.054 -2.688 7.722 278 HB2 ASP 40 1HB ASP 40 0.025 -0.537 7.215 279 HB3 ASP 40 2HB ASP 40 -1.486 -0.508 6.328 280 H VAL 41 H VAL 41 -2.783 -3.484 5.716 281 HA VAL 41 HA VAL 41 -0.735 -4.367 3.863 282 HB VAL 41 HB VAL 41 -3.728 -4.801 3.868 283 HG11 VAL 41 1HG1 VAL 41 -1.455 -5.991 2.270 284 HG12 VAL 41 2HG1 VAL 41 -3.002 -6.846 2.486 285 HG13 VAL 41 3HG1 VAL 41 -2.968 -5.255 1.688 286 HG21 VAL 41 1HG2 VAL 41 -2.241 -7.151 4.569 287 HG22 VAL 41 2HG2 VAL 41 -1.758 -5.822 5.650 288 HG23 VAL 41 3HG2 VAL 41 -3.473 -6.281 5.515 289 H VAL 42 H VAL 42 -0.476 -3.609 1.758 290 HA VAL 42 HA VAL 42 -2.310 -1.504 0.899 291 HB VAL 42 HB VAL 42 0.688 -1.288 1.175 292 HG11 VAL 42 1HG1 VAL 42 -1.079 0.744 -0.210 293 HG12 VAL 42 2HG1 VAL 42 0.699 0.679 -0.146 294 HG13 VAL 42 3HG1 VAL 42 -0.202 -0.529 -1.094 295 HG21 VAL 42 1HG2 VAL 42 -0.752 -0.694 3.138 296 HG22 VAL 42 2HG2 VAL 42 0.221 0.659 2.514 297 HG23 VAL 42 3HG2 VAL 42 -1.516 0.564 2.138 298 H LEU 43 H LEU 43 -2.856 -1.689 -1.236 299 HA LEU 43 HA LEU 43 -1.661 -3.908 -2.658 300 HB2 LEU 43 1HB LEU 43 -4.113 -3.588 -2.485 301 HB3 LEU 43 2HB LEU 43 -3.966 -2.102 -3.402 302 HG LEU 43 HG LEU 43 -2.773 -3.737 -5.152 303 HD11 LEU 43 1HD1 LEU 43 -4.396 -5.844 -5.071 304 HD12 LEU 43 2HD1 LEU 43 -2.814 -5.828 -4.255 305 HD13 LEU 43 3HD1 LEU 43 -4.300 -5.528 -3.322 306 HD21 LEU 43 1HD2 LEU 43 -5.302 -4.169 -5.946 307 HD22 LEU 43 2HD2 LEU 43 -5.591 -2.901 -4.730 308 HD23 LEU 43 3HD2 LEU 43 -4.485 -2.594 -6.090 309 H VAL 44 H VAL 44 0.210 -3.556 -3.727 310 HA VAL 44 HA VAL 44 1.134 -1.017 -4.412 311 HB VAL 44 HB VAL 44 1.859 -3.770 -5.429 312 HG11 VAL 44 1HG1 VAL 44 2.533 -1.536 -6.750 313 HG12 VAL 44 2HG1 VAL 44 3.817 -1.521 -5.517 314 HG13 VAL 44 3HG1 VAL 44 3.632 -2.927 -6.593 315 HG21 VAL 44 1HG2 VAL 44 2.452 -3.915 -3.232 316 HG22 VAL 44 2HG2 VAL 44 3.902 -3.078 -3.835 317 HG23 VAL 44 3HG2 VAL 44 2.607 -2.153 -3.039 318 H LEU 45 H LEU 45 1.060 0.208 -6.300 319 HA LEU 45 HA LEU 45 -0.714 -0.866 -8.382 320 HB2 LEU 45 1HB LEU 45 -0.546 1.894 -7.189 321 HB3 LEU 45 2HB LEU 45 -1.263 1.600 -8.761 322 HG LEU 45 HG LEU 45 -2.222 0.075 -6.348 323 HD11 LEU 45 1HD1 LEU 45 -2.369 2.931 -6.675 324 HD12 LEU 45 2HD1 LEU 45 -3.999 2.222 -6.768 325 HD13 LEU 45 3HD1 LEU 45 -2.971 1.908 -5.349 326 HD21 LEU 45 1HD2 LEU 45 -3.936 -0.591 -7.644 327 HD22 LEU 45 2HD2 LEU 45 -4.077 0.984 -8.461 328 HD23 LEU 45 3HD2 LEU 45 -2.832 -0.178 -8.978 329 H GLN 46 H GLN 46 2.144 1.143 -7.535 330 HA GLN 46 HA GLN 46 3.168 0.505 -10.164 331 HB2 GLN 46 1HB GLN 46 2.422 3.206 -9.227 332 HB3 GLN 46 2HB GLN 46 4.078 3.117 -9.794 333 HG2 GLN 46 1HG GLN 46 3.383 3.057 -11.951 334 HG3 GLN 46 2HG GLN 46 2.421 1.626 -11.636 335 HE21 GLN 46 1HE2 GLN 46 0.283 1.887 -10.746 336 HE22 GLN 46 2HE2 GLN 46 -0.661 3.290 -11.123 337 H GLN 47 H GLN 47 5.211 -0.314 -9.968 338 HA GLN 47 HA GLN 47 6.537 0.185 -7.434 339 HB2 GLN 47 1HB GLN 47 6.507 -2.067 -9.404 340 HB3 GLN 47 2HB GLN 47 8.033 -1.777 -8.594 341 HG2 GLN 47 1HG GLN 47 6.361 -1.617 -6.442 342 HG3 GLN 47 2HG GLN 47 5.418 -2.696 -7.450 343 HE21 GLN 47 1HE2 GLN 47 5.883 -4.770 -7.469 344 HE22 GLN 47 2HE2 GLN 47 7.317 -5.519 -6.850 345 H GLU 48 H GLU 48 8.054 1.783 -7.425 346 HA GLU 48 HA GLU 48 9.584 2.101 -9.890 347 HB2 GLU 48 1HB GLU 48 7.882 3.977 -9.039 348 HB3 GLU 48 2HB GLU 48 9.208 4.399 -7.973 349 HG2 GLU 48 1HG GLU 48 10.630 4.211 -10.257 350 HG3 GLU 48 2HG GLU 48 9.068 4.538 -10.982 351 H ASP 49 H ASP 49 11.670 1.451 -9.611 352 HA ASP 49 HA ASP 49 12.814 0.565 -7.428 353 HB2 ASP 49 1HB ASP 49 13.699 1.167 -9.942 354 HB3 ASP 49 2HB ASP 49 14.581 2.381 -9.037 355 H GLY 50 H GLY 50 12.660 1.569 -5.389 356 HA2 GLY 50 1HA GLY 50 14.070 3.189 -4.115 357 HA3 GLY 50 2HA GLY 50 13.477 4.408 -5.225 358 H TRP 51 H TRP 51 10.745 3.493 -5.504 359 HA TRP 51 HA TRP 51 9.725 3.523 -2.772 360 HB2 TRP 51 1HB TRP 51 9.186 5.644 -4.844 361 HB3 TRP 51 2HB TRP 51 8.078 5.320 -3.525 362 HD1 TRP 51 HD TRP 51 11.804 6.393 -3.977 363 HE1 TRP 51 1HE TRP 51 12.583 7.910 -1.963 364 HE3 TRP 51 3HE TRP 51 7.495 5.974 -1.311 365 HZ2 TRP 51 2HZ TRP 51 11.337 8.746 0.465 366 HZ3 TRP 51 3HZ TRP 51 7.358 7.172 0.871 367 HH2 TRP 51 HH TRP 51 9.189 8.521 1.767 368 H LEU 52 H LEU 52 7.587 2.600 -2.646 369 HA LEU 52 HA LEU 52 6.740 1.333 -5.159 370 HB2 LEU 52 1HB LEU 52 6.236 0.152 -2.449 371 HB3 LEU 52 2HB LEU 52 6.184 -0.621 -4.021 372 HG LEU 52 HG LEU 52 8.109 -1.358 -2.709 373 HD11 LEU 52 1HD1 LEU 52 8.559 -1.604 -4.957 374 HD12 LEU 52 2HD1 LEU 52 8.553 0.149 -5.266 375 HD13 LEU 52 3HD1 LEU 52 9.930 -0.602 -4.424 376 HD21 LEU 52 1HD2 LEU 52 9.481 1.280 -2.939 377 HD22 LEU 52 2HD2 LEU 52 8.270 1.075 -1.650 378 HD23 LEU 52 3HD2 LEU 52 9.672 -0.019 -1.736 379 H TYR 53 H TYR 53 4.783 1.967 -5.886 380 HA TYR 53 HA TYR 53 3.124 3.514 -4.054 381 HB2 TYR 53 1HB TYR 53 3.857 4.238 -6.425 382 HB3 TYR 53 2HB TYR 53 2.963 2.873 -7.065 383 HD1 TYR 53 1HD TYR 53 2.366 5.788 -4.767 384 HD2 TYR 53 2HD TYR 53 0.844 3.299 -7.896 385 HE1 TYR 53 1HE TYR 53 0.264 7.214 -4.888 386 HE2 TYR 53 2HE TYR 53 -1.253 4.733 -8.007 387 HH TYR 53 HH TYR 53 -2.038 6.966 -5.592 388 H GLY 54 H GLY 54 0.959 3.005 -3.576 389 HA2 GLY 54 1HA GLY 54 -0.349 0.762 -4.790 390 HA3 GLY 54 2HA GLY 54 0.259 0.390 -3.190 391 H GLU 55 H GLU 55 -2.236 0.133 -2.933 392 HA GLU 55 HA GLU 55 -3.236 2.724 -2.047 393 HB2 GLU 55 1HB GLU 55 -4.487 2.198 -4.042 394 HB3 GLU 55 2HB GLU 55 -4.722 0.534 -3.546 395 HG2 GLU 55 1HG GLU 55 -5.731 2.254 -1.447 396 HG3 GLU 55 2HG GLU 55 -6.388 2.809 -2.973 397 H ARG 56 H ARG 56 -3.958 2.775 0.064 398 HA ARG 56 HA ARG 56 -3.477 0.503 1.626 399 HB2 ARG 56 1HB ARG 56 -3.422 3.078 2.233 400 HB3 ARG 56 2HB ARG 56 -5.134 2.880 2.551 401 HG2 ARG 56 1HG ARG 56 -4.757 1.317 4.315 402 HG3 ARG 56 2HG ARG 56 -3.124 0.966 3.783 403 HD2 ARG 56 1HD ARG 56 -3.294 2.465 5.850 404 HD3 ARG 56 2HD ARG 56 -2.298 3.098 4.554 405 HE ARG 56 HE ARG 56 -4.728 4.186 3.935 406 HH11 ARG 56 2HH2 ARG 56 -2.941 4.033 6.962 407 HH12 ARG 56 1HH2 ARG 56 -3.603 5.511 7.575 408 HH21 ARG 56 2HH1 ARG 56 -5.601 6.137 4.743 409 HH22 ARG 56 1HH1 ARG 56 -5.126 6.716 6.305 410 H LEU 57 H LEU 57 -4.833 -1.253 1.802 411 HA LEU 57 HA LEU 57 -7.471 -1.184 0.828 412 HB2 LEU 57 1HB LEU 57 -5.922 -3.188 2.463 413 HB3 LEU 57 2HB LEU 57 -7.568 -3.462 1.929 414 HG LEU 57 HG LEU 57 -6.265 -4.575 0.352 415 HD11 LEU 57 1HD1 LEU 57 -6.811 -3.593 -1.683 416 HD12 LEU 57 2HD1 LEU 57 -7.964 -2.848 -0.550 417 HD13 LEU 57 3HD1 LEU 57 -6.527 -1.942 -1.082 418 HD21 LEU 57 1HD2 LEU 57 -4.182 -3.999 -0.444 419 HD22 LEU 57 2HD2 LEU 57 -4.455 -2.254 -0.222 420 HD23 LEU 57 3HD2 LEU 57 -4.143 -3.293 1.190 421 H ARG 58 H ARG 58 -6.083 0.020 3.704 422 HA ARG 58 HA ARG 58 -8.022 -0.640 5.544 423 HB2 ARG 58 1HB ARG 58 -5.799 0.417 6.066 424 HB3 ARG 58 2HB ARG 58 -6.357 1.923 5.365 425 HG2 ARG 58 1HG ARG 58 -7.947 2.294 7.097 426 HG3 ARG 58 2HG ARG 58 -7.960 0.610 7.581 427 HD2 ARG 58 1HD ARG 58 -5.674 0.803 8.494 428 HD3 ARG 58 2HD ARG 58 -5.532 2.442 7.889 429 HE ARG 58 HE ARG 58 -7.835 2.026 9.667 430 HH11 ARG 58 2HH2 ARG 58 -4.431 2.895 9.477 431 HH12 ARG 58 1HH2 ARG 58 -4.430 3.738 10.991 432 HH21 ARG 58 2HH1 ARG 58 -7.835 3.139 11.663 433 HH22 ARG 58 1HH1 ARG 58 -6.379 3.877 12.242 434 H ASP 59 H ASP 59 -7.581 2.541 3.809 435 HA ASP 59 HA ASP 59 -10.458 2.899 4.096 436 HB2 ASP 59 1HB ASP 59 -8.099 4.760 4.151 437 HB3 ASP 59 2HB ASP 59 -9.565 5.382 3.422 438 H GLY 60 H GLY 60 -7.663 2.652 1.948 439 HA2 GLY 60 1HA GLY 60 -8.062 1.967 -0.314 440 HA3 GLY 60 2HA GLY 60 -9.434 3.055 -0.383 441 H GLU 61 H GLU 61 -6.986 4.550 1.447 442 HA GLU 61 HA GLU 61 -6.595 6.529 -0.438 443 HB2 GLU 61 1HB GLU 61 -5.476 5.806 2.224 444 HB3 GLU 61 2HB GLU 61 -4.428 6.808 1.240 445 HG2 GLU 61 1HG GLU 61 -6.186 7.978 2.795 446 HG3 GLU 61 2HG GLU 61 -5.960 8.596 1.171 447 H THR 62 H THR 62 -5.158 6.800 -2.120 448 HA THR 62 HA THR 62 -3.157 4.666 -2.451 449 HB THR 62 HB THR 62 -4.153 6.451 -4.687 450 HG1 THR 62 1HG THR 62 -6.064 5.163 -4.716 451 HG21 THR 62 1HG2 THR 62 -4.217 3.975 -5.689 452 HG22 THR 62 2HG2 THR 62 -2.664 4.834 -5.554 453 HG23 THR 62 3HG2 THR 62 -3.119 3.622 -4.333 454 H GLY 63 H GLY 63 -1.139 5.212 -1.943 455 HA2 GLY 63 1HA GLY 63 -0.167 7.834 -2.819 456 HA3 GLY 63 2HA GLY 63 -0.064 7.447 -1.113 457 H TRP 64 H TRP 64 2.345 7.838 -1.872 458 HA TRP 64 HA TRP 64 3.459 5.417 -3.058 459 HB2 TRP 64 1HB TRP 64 4.513 8.189 -2.559 460 HB3 TRP 64 2HB TRP 64 5.595 6.853 -2.901 461 HD1 TRP 64 HD TRP 64 2.977 9.071 -4.625 462 HE1 TRP 64 1HE TRP 64 3.046 8.785 -7.248 463 HE3 TRP 64 3HE TRP 64 6.181 5.122 -4.637 464 HZ2 TRP 64 2HZ TRP 64 4.402 6.980 -8.994 465 HZ3 TRP 64 3HZ TRP 64 6.827 4.157 -6.843 466 HH2 TRP 64 HH TRP 64 5.992 5.023 -8.971 467 H PHE 65 H PHE 65 4.766 3.994 -1.874 468 HA PHE 65 HA PHE 65 5.384 4.745 0.872 469 HB2 PHE 65 1HB PHE 65 4.270 2.785 1.729 470 HB3 PHE 65 2HB PHE 65 3.139 3.403 0.543 471 HD1 PHE 65 2HD PHE 65 5.927 0.961 0.902 472 HD2 PHE 65 1HD PHE 65 2.362 2.008 -1.148 473 HE1 PHE 65 2HE PHE 65 5.958 -1.252 -0.282 474 HE2 PHE 65 1HE PHE 65 2.393 -0.205 -2.332 475 HZ PHE 65 HZ PHE 65 4.190 -1.809 -1.884 476 HA PRO 66 HA PRO 66 9.055 2.753 -0.360 477 HB2 PRO 66 1HB PRO 66 10.445 2.992 1.980 478 HB3 PRO 66 2HB PRO 66 10.348 4.273 0.788 479 HG2 PRO 66 1HG PRO 66 8.964 4.054 3.391 480 HG3 PRO 66 2HG PRO 66 9.218 5.476 2.399 481 HD2 PRO 66 1HD PRO 66 6.784 3.981 2.665 482 HD3 PRO 66 2HD PRO 66 7.072 5.331 1.586 483 H GLU 67 H GLU 67 10.292 0.817 -0.166 484 HA GLU 67 HA GLU 67 8.629 -1.224 0.863 485 HB2 GLU 67 1HB GLU 67 10.681 -2.673 0.183 486 HB3 GLU 67 2HB GLU 67 9.808 -1.833 -1.084 487 HG2 GLU 67 1HG GLU 67 11.590 -0.497 -1.589 488 HG3 GLU 67 2HG GLU 67 11.925 -0.152 0.096 489 H ASP 68 H ASP 68 11.563 0.511 1.928 490 HA ASP 68 HA ASP 68 12.510 -1.195 3.797 491 HB2 ASP 68 1HB ASP 68 12.740 1.594 3.152 492 HB3 ASP 68 2HB ASP 68 12.498 1.500 4.885 493 H PHE 69 H PHE 69 9.496 0.613 3.713 494 HA PHE 69 HA PHE 69 9.055 0.078 6.562 495 HB2 PHE 69 1HB PHE 69 7.796 1.958 4.478 496 HB3 PHE 69 2HB PHE 69 7.136 1.774 6.092 497 HD1 PHE 69 1HD PHE 69 10.268 2.716 4.314 498 HD2 PHE 69 2HD PHE 69 7.920 3.116 7.826 499 HE1 PHE 69 1HE PHE 69 11.827 4.494 5.154 500 HE2 PHE 69 2HE PHE 69 9.480 4.894 8.666 501 HZ PHE 69 HZ PHE 69 11.415 5.562 7.320 502 H ALA 70 H ALA 70 8.812 -1.764 4.056 503 HA ALA 70 HA ALA 70 6.222 -2.811 4.835 504 HB1 ALA 70 1HB ALA 70 5.218 -1.862 3.042 505 HB2 ALA 70 2HB ALA 70 6.771 -1.434 2.286 506 HB3 ALA 70 3HB ALA 70 6.104 -3.072 2.083 507 H ARG 71 H ARG 71 5.917 -5.057 3.805 508 HA ARG 71 HA ARG 71 8.500 -6.220 3.193 509 HB2 ARG 71 1HB ARG 71 6.712 -6.840 5.509 510 HB3 ARG 71 2HB ARG 71 7.311 -8.246 4.650 511 HG2 ARG 71 1HG ARG 71 9.628 -6.796 4.826 512 HG3 ARG 71 2HG ARG 71 8.815 -6.225 6.269 513 HD2 ARG 71 1HD ARG 71 9.715 -8.104 7.235 514 HD3 ARG 71 2HD ARG 71 8.345 -8.919 6.506 515 HE ARG 71 HE ARG 71 10.487 -8.734 4.589 516 HH11 ARG 71 2HH2 ARG 71 9.554 -10.465 7.507 517 HH12 ARG 71 1HH2 ARG 71 10.495 -11.869 7.129 518 HH21 ARG 71 2HH1 ARG 71 11.729 -10.586 4.089 519 HH22 ARG 71 1HH1 ARG 71 11.741 -11.939 5.172 520 H PHE 72 H PHE 72 8.231 -7.083 1.156 521 HA PHE 72 HA PHE 72 5.790 -7.533 -0.038 522 HB2 PHE 72 1HB PHE 72 8.690 -8.270 -0.393 523 HB3 PHE 72 2HB PHE 72 7.569 -9.276 -1.288 524 HD1 PHE 72 1HD PHE 72 6.042 -8.215 -2.966 525 HD2 PHE 72 2HD PHE 72 9.179 -6.055 -1.095 526 HE1 PHE 72 1HE PHE 72 5.915 -6.471 -4.766 527 HE2 PHE 72 2HE PHE 72 9.052 -4.311 -2.895 528 HZ PHE 72 HZ PHE 72 7.421 -4.539 -4.709 529 H ILE 73 H ILE 73 4.239 -8.855 0.856 530 HA ILE 73 HA ILE 73 4.763 -11.105 2.378 531 HB ILE 73 HB ILE 73 2.339 -10.400 0.720 532 HG12 ILE 73 1HG1 ILE 73 3.164 -9.719 3.548 533 HG13 ILE 73 2HG1 ILE 73 2.788 -8.619 2.237 534 HG21 ILE 73 1HG2 ILE 73 2.396 -12.219 3.127 535 HG22 ILE 73 2HG2 ILE 73 1.091 -11.970 1.943 536 HG23 ILE 73 3HG2 ILE 73 2.574 -12.830 1.465 537 HD11 ILE 73 1HD1 ILE 73 0.926 -8.902 3.938 538 HD12 ILE 73 2HD1 ILE 73 0.441 -9.250 2.261 539 HD13 ILE 73 3HD1 ILE 73 0.764 -10.588 3.391 540 H SER 74 H SER 74 3.821 -10.889 -1.126 541 HA SER 74 HA SER 74 5.525 -13.118 -1.646 542 HB2 SER 74 1HB SER 74 2.631 -13.471 -1.322 543 HB3 SER 74 2HB SER 74 3.149 -13.940 -2.929 544 HG SER 74 HG SER 74 4.548 -15.481 -2.078 545 H GLY 75 H GLY 75 6.560 -12.556 -3.524 546 HA2 GLY 75 1HA GLY 75 5.121 -11.687 -5.831 547 HA3 GLY 75 2HA GLY 75 5.961 -10.355 -5.063 548 HA PRO 76 HA PRO 76 9.619 -11.710 -6.958 549 HB2 PRO 76 1HB PRO 76 11.528 -10.554 -5.380 550 HB3 PRO 76 2HB PRO 76 10.645 -9.677 -6.615 551 HG2 PRO 76 1HG PRO 76 10.316 -9.580 -3.679 552 HG3 PRO 76 2HG PRO 76 9.764 -8.433 -4.884 553 HD2 PRO 76 1HD PRO 76 8.166 -10.376 -3.505 554 HD3 PRO 76 2HD PRO 76 7.640 -9.309 -4.793 555 H SER 77 H SER 77 9.477 -13.945 -6.837 556 HA SER 77 HA SER 77 11.061 -14.937 -4.597 557 HB2 SER 77 1HB SER 77 8.582 -15.490 -4.468 558 HB3 SER 77 2HB SER 77 8.758 -16.407 -5.951 559 HG SER 77 HG SER 77 9.150 -17.994 -4.528 560 H SER 78 H SER 78 12.954 -15.858 -5.292 561 HA SER 78 HA SER 78 12.948 -16.876 -8.025 562 HB2 SER 78 1HB SER 78 15.489 -16.499 -7.849 563 HB3 SER 78 2HB SER 78 14.486 -15.066 -7.956 564 HG SER 78 HG SER 78 16.055 -16.017 -5.813 565 H GLY 79 H GLY 79 13.730 -17.449 -4.598 566 HA2 GLY 79 1HA GLY 79 13.540 -19.697 -3.790 567 HA3 GLY 79 2HA GLY 79 14.289 -20.272 -5.266 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -24.976 17.438 1.539 2 HA2 GLY 1 1HA GLY 1 -22.545 17.442 1.007 3 HA3 GLY 1 2HA GLY 1 -22.271 17.446 2.738 4 H SER 2 H SER 2 -21.033 15.397 2.149 5 HA SER 2 HA SER 2 -20.838 13.241 2.310 6 HB2 SER 2 1HB SER 2 -23.327 13.756 3.694 7 HB3 SER 2 2HB SER 2 -23.472 12.234 2.838 8 HG SER 2 HG SER 2 -21.489 11.521 3.870 9 H SER 3 H SER 3 -20.517 12.000 0.501 10 HA SER 3 HA SER 3 -22.689 11.092 -1.020 11 HB2 SER 3 1HB SER 3 -21.548 13.619 -1.831 12 HB3 SER 3 2HB SER 3 -21.133 12.420 -3.040 13 HG SER 3 HG SER 3 -23.634 11.866 -2.632 14 H GLY 4 H GLY 4 -21.835 9.748 -2.969 15 HA2 GLY 4 1HA GLY 4 -19.617 8.188 -2.067 16 HA3 GLY 4 2HA GLY 4 -20.556 7.970 -3.531 17 H SER 5 H SER 5 -18.660 7.583 -4.819 18 HA SER 5 HA SER 5 -17.656 9.854 -6.028 19 HB2 SER 5 1HB SER 5 -16.305 10.198 -4.026 20 HB3 SER 5 2HB SER 5 -15.765 8.531 -4.039 21 HG SER 5 HG SER 5 -14.187 9.089 -5.361 22 H SER 6 H SER 6 -17.521 9.055 -8.090 23 HA SER 6 HA SER 6 -16.884 7.817 -9.769 24 HB2 SER 6 1HB SER 6 -14.815 7.349 -8.112 25 HB3 SER 6 2HB SER 6 -15.488 5.731 -8.108 26 HG SER 6 HG SER 6 -15.378 5.769 -10.477 27 H GLY 7 H GLY 7 -17.419 5.605 -6.921 28 HA2 GLY 7 1HA GLY 7 -19.481 4.442 -6.674 29 HA3 GLY 7 2HA GLY 7 -19.645 4.377 -8.418 30 H TRP 8 H TRP 8 -17.899 3.070 -5.586 31 HA TRP 8 HA TRP 8 -16.889 1.129 -5.244 32 HB2 TRP 8 1HB TRP 8 -18.609 0.493 -7.580 33 HB3 TRP 8 2HB TRP 8 -17.310 -0.630 -7.228 34 HD1 TRP 8 HD TRP 8 -20.745 0.361 -6.004 35 HE1 TRP 8 1HE TRP 8 -21.534 -1.088 -3.944 36 HE3 TRP 8 3HE TRP 8 -16.222 -1.783 -5.111 37 HZ2 TRP 8 2HZ TRP 8 -20.207 -2.926 -2.211 38 HZ3 TRP 8 3HZ TRP 8 -16.054 -3.394 -3.216 39 HH2 TRP 8 HH TRP 8 -17.952 -3.975 -1.790 40 H GLN 9 H GLN 9 -14.686 1.200 -5.313 41 HA GLN 9 HA GLN 9 -13.492 1.799 -7.896 42 HB2 GLN 9 1HB GLN 9 -11.492 2.479 -6.599 43 HB3 GLN 9 2HB GLN 9 -12.915 3.365 -6.090 44 HG2 GLN 9 1HG GLN 9 -13.214 1.778 -4.173 45 HG3 GLN 9 2HG GLN 9 -11.785 0.900 -4.681 46 HE21 GLN 9 1HE2 GLN 9 -9.823 2.371 -5.089 47 HE22 GLN 9 2HE2 GLN 9 -9.463 3.536 -3.859 48 H GLY 10 H GLY 10 -11.483 0.613 -8.513 49 HA2 GLY 10 1HA GLY 10 -10.383 -1.304 -8.915 50 HA3 GLY 10 2HA GLY 10 -10.482 -1.609 -7.192 51 H LEU 11 H LEU 11 -12.074 -2.117 -10.354 52 HA LEU 11 HA LEU 11 -13.420 -4.429 -9.168 53 HB2 LEU 11 1HB LEU 11 -14.867 -2.277 -9.535 54 HB3 LEU 11 2HB LEU 11 -14.821 -2.757 -11.220 55 HG LEU 11 HG LEU 11 -16.842 -3.587 -10.261 56 HD11 LEU 11 1HD1 LEU 11 -15.002 -5.982 -10.419 57 HD12 LEU 11 2HD1 LEU 11 -16.735 -5.891 -10.818 58 HD13 LEU 11 3HD1 LEU 11 -15.540 -5.061 -11.844 59 HD21 LEU 11 1HD2 LEU 11 -15.079 -4.380 -7.998 60 HD22 LEU 11 2HD2 LEU 11 -16.728 -3.709 -7.998 61 HD23 LEU 11 3HD2 LEU 11 -16.467 -5.431 -8.364 62 H SER 12 H SER 12 -12.753 -2.704 -12.301 63 HA SER 12 HA SER 12 -12.252 -5.324 -13.442 64 HB2 SER 12 1HB SER 12 -13.341 -2.783 -14.442 65 HB3 SER 12 2HB SER 12 -12.090 -3.410 -15.496 66 HG SER 12 HG SER 12 -13.279 -5.501 -15.444 67 H SER 13 H SER 13 -10.427 -5.169 -15.298 68 HA SER 13 HA SER 13 -8.345 -4.862 -15.841 69 HB2 SER 13 1HB SER 13 -8.290 -2.458 -13.964 70 HB3 SER 13 2HB SER 13 -7.127 -2.806 -15.228 71 HG SER 13 HG SER 13 -8.797 -2.532 -16.815 72 H LYS 14 H LYS 14 -8.455 -3.759 -12.365 73 HA LYS 14 HA LYS 14 -6.132 -4.794 -11.496 74 HB2 LYS 14 1HB LYS 14 -7.092 -4.811 -9.283 75 HB3 LYS 14 2HB LYS 14 -7.700 -3.427 -10.167 76 HG2 LYS 14 1HG LYS 14 -9.790 -4.131 -9.625 77 HG3 LYS 14 2HG LYS 14 -9.565 -5.430 -10.779 78 HD2 LYS 14 1HD LYS 14 -8.256 -6.525 -8.658 79 HD3 LYS 14 2HD LYS 14 -9.368 -5.492 -7.782 80 HE2 LYS 14 1HE LYS 14 -11.244 -6.508 -9.260 81 HE3 LYS 14 2HE LYS 14 -10.063 -7.699 -9.767 82 HZ1 LYS 14 1HZ LYS 14 -10.340 -8.757 -7.872 83 HZ2 LYS 14 2HZ LYS 14 -10.032 -7.428 -6.975 84 HZ3 LYS 14 3HZ LYS 14 -11.554 -7.737 -7.479 85 H GLY 15 H GLY 15 -5.368 -6.781 -10.621 86 HA2 GLY 15 1HA GLY 15 -7.083 -9.127 -11.087 87 HA3 GLY 15 2HA GLY 15 -5.508 -9.042 -11.851 88 H ASP 16 H ASP 16 -3.652 -9.540 -10.679 89 HA ASP 16 HA ASP 16 -4.103 -9.996 -7.834 90 HB2 ASP 16 1HB ASP 16 -2.174 -11.553 -9.610 91 HB3 ASP 16 2HB ASP 16 -2.608 -11.924 -7.954 92 H LEU 17 H LEU 17 -3.269 -7.601 -7.934 93 HA LEU 17 HA LEU 17 -0.571 -7.188 -8.730 94 HB2 LEU 17 1HB LEU 17 -2.670 -5.578 -7.317 95 HB3 LEU 17 2HB LEU 17 -1.010 -5.018 -7.361 96 HG LEU 17 HG LEU 17 -2.780 -5.571 -9.758 97 HD11 LEU 17 1HD1 LEU 17 -3.561 -3.560 -8.972 98 HD12 LEU 17 2HD1 LEU 17 -1.989 -3.086 -8.284 99 HD13 LEU 17 3HD1 LEU 17 -2.249 -3.014 -10.044 100 HD21 LEU 17 1HD2 LEU 17 -0.493 -4.120 -10.535 101 HD22 LEU 17 2HD2 LEU 17 0.091 -5.483 -9.551 102 HD23 LEU 17 3HD2 LEU 17 -0.937 -5.787 -10.972 103 HA PRO 18 HA PRO 18 1.471 -8.245 -5.079 104 HB2 PRO 18 1HB PRO 18 3.541 -6.465 -4.971 105 HB3 PRO 18 2HB PRO 18 3.543 -7.875 -6.011 106 HG2 PRO 18 1HG PRO 18 3.131 -5.039 -6.735 107 HG3 PRO 18 2HG PRO 18 3.556 -6.386 -7.772 108 HD2 PRO 18 1HD PRO 18 0.977 -5.154 -7.531 109 HD3 PRO 18 2HD PRO 18 1.376 -6.572 -8.479 110 H GLN 19 H GLN 19 1.516 -8.050 -2.864 111 HA GLN 19 HA GLN 19 0.592 -5.424 -1.997 112 HB2 GLN 19 1HB GLN 19 -0.617 -8.086 -1.586 113 HB3 GLN 19 2HB GLN 19 -0.387 -7.209 -0.086 114 HG2 GLN 19 1HG GLN 19 -1.663 -5.304 -0.903 115 HG3 GLN 19 2HG GLN 19 -1.691 -5.943 -2.534 116 HE21 GLN 19 1HE2 GLN 19 -2.931 -7.781 -3.023 117 HE22 GLN 19 2HE2 GLN 19 -4.283 -8.268 -2.054 118 H VAL 20 H VAL 20 1.315 -4.754 0.152 119 HA VAL 20 HA VAL 20 3.408 -6.439 1.300 120 HB VAL 20 HB VAL 20 4.936 -4.591 1.444 121 HG11 VAL 20 1HG1 VAL 20 4.278 -4.286 -1.418 122 HG12 VAL 20 2HG1 VAL 20 5.759 -4.886 -0.635 123 HG13 VAL 20 3HG1 VAL 20 4.364 -5.971 -0.849 124 HG21 VAL 20 1HG2 VAL 20 2.895 -2.902 1.445 125 HG22 VAL 20 2HG2 VAL 20 4.510 -2.400 0.891 126 HG23 VAL 20 3HG2 VAL 20 3.254 -2.825 -0.296 127 H GLU 21 H GLU 21 3.607 -6.243 3.562 128 HA GLU 21 HA GLU 21 1.401 -4.758 4.734 129 HB2 GLU 21 1HB GLU 21 1.407 -7.157 5.228 130 HB3 GLU 21 2HB GLU 21 3.065 -7.083 5.791 131 HG2 GLU 21 1HG GLU 21 2.388 -5.570 7.648 132 HG3 GLU 21 2HG GLU 21 0.734 -5.577 7.070 133 H ILE 22 H ILE 22 1.838 -2.867 5.779 134 HA ILE 22 HA ILE 22 4.480 -1.955 6.059 135 HB ILE 22 HB ILE 22 1.946 -0.917 7.333 136 HG12 ILE 22 1HG1 ILE 22 1.452 -0.993 5.045 137 HG13 ILE 22 2HG1 ILE 22 1.995 0.651 5.322 138 HG21 ILE 22 1HG2 ILE 22 4.714 -0.041 7.410 139 HG22 ILE 22 2HG2 ILE 22 3.647 1.202 6.714 140 HG23 ILE 22 3HG2 ILE 22 3.303 0.536 8.328 141 HD11 ILE 22 1HD1 ILE 22 3.328 -1.564 3.810 142 HD12 ILE 22 2HD1 ILE 22 3.306 0.185 3.482 143 HD13 ILE 22 3HD1 ILE 22 4.394 -0.473 4.728 144 H THR 23 H THR 23 5.976 -2.337 7.603 145 HA THR 23 HA THR 23 5.212 -3.965 9.860 146 HB THR 23 HB THR 23 7.643 -4.122 10.161 147 HG1 THR 23 1HG THR 23 8.884 -2.439 9.357 148 HG21 THR 23 1HG2 THR 23 8.318 -5.029 8.074 149 HG22 THR 23 2HG2 THR 23 6.545 -5.156 7.977 150 HG23 THR 23 3HG2 THR 23 7.389 -3.826 7.148 151 H LYS 24 H LYS 24 5.757 -0.562 9.156 152 HA LYS 24 HA LYS 24 4.975 0.037 11.868 153 HB2 LYS 24 1HB LYS 24 6.876 1.518 12.306 154 HB3 LYS 24 2HB LYS 24 7.384 -0.150 12.132 155 HG2 LYS 24 1HG LYS 24 7.542 0.778 9.510 156 HG3 LYS 24 2HG LYS 24 8.005 2.198 10.428 157 HD2 LYS 24 1HD LYS 24 9.876 1.123 11.411 158 HD3 LYS 24 2HD LYS 24 9.230 -0.482 11.131 159 HE2 LYS 24 1HE LYS 24 9.754 -0.423 8.799 160 HE3 LYS 24 2HE LYS 24 9.919 1.322 8.785 161 HZ1 LYS 24 1HZ LYS 24 11.849 -0.634 9.419 162 HZ2 LYS 24 2HZ LYS 24 12.057 0.952 9.087 163 HZ3 LYS 24 3HZ LYS 24 11.734 0.473 10.614 164 H ALA 25 H ALA 25 4.071 2.159 12.066 165 HA ALA 25 HA ALA 25 2.673 3.044 9.885 166 HB1 ALA 25 1HB ALA 25 3.579 4.881 12.115 167 HB2 ALA 25 2HB ALA 25 2.012 4.835 11.271 168 HB3 ALA 25 3HB ALA 25 2.442 3.546 12.421 169 H PHE 26 H PHE 26 2.996 4.536 8.234 170 HA PHE 26 HA PHE 26 5.693 5.694 8.131 171 HB2 PHE 26 1HB PHE 26 5.643 4.031 6.412 172 HB3 PHE 26 2HB PHE 26 3.917 4.205 6.167 173 HD1 PHE 26 1HD PHE 26 6.984 6.323 5.839 174 HD2 PHE 26 2HD PHE 26 3.268 5.136 4.169 175 HE1 PHE 26 1HE PHE 26 7.416 7.781 3.842 176 HE2 PHE 26 2HE PHE 26 3.700 6.594 2.172 177 HZ PHE 26 HZ PHE 26 5.768 7.899 2.032 178 H PHE 27 H PHE 27 4.945 7.697 9.052 179 HA PHE 27 HA PHE 27 2.692 9.055 8.175 180 HB2 PHE 27 1HB PHE 27 5.424 9.898 9.301 181 HB3 PHE 27 2HB PHE 27 4.114 11.046 9.108 182 HD1 PHE 27 2HD PHE 27 2.050 10.806 10.466 183 HD2 PHE 27 1HD PHE 27 5.440 8.337 11.110 184 HE1 PHE 27 2HE PHE 27 1.156 10.167 12.723 185 HE2 PHE 27 1HE PHE 27 4.546 7.697 13.367 186 HZ PHE 27 HZ PHE 27 2.414 8.620 14.146 187 H ALA 28 H ALA 28 2.229 9.787 6.157 188 HA ALA 28 HA ALA 28 4.128 9.994 4.131 189 HB1 ALA 28 1HB ALA 28 2.250 11.271 2.979 190 HB2 ALA 28 2HB ALA 28 1.810 9.665 3.607 191 HB3 ALA 28 3HB ALA 28 1.333 11.131 4.498 192 H LYS 29 H LYS 29 5.501 11.605 3.473 193 HA LYS 29 HA LYS 29 5.397 14.068 5.061 194 HB2 LYS 29 1HB LYS 29 7.727 14.230 4.867 195 HB3 LYS 29 2HB LYS 29 7.428 12.536 5.199 196 HG2 LYS 29 1HG LYS 29 8.751 12.160 3.372 197 HG3 LYS 29 2HG LYS 29 7.307 12.525 2.450 198 HD2 LYS 29 1HD LYS 29 8.005 14.724 1.952 199 HD3 LYS 29 2HD LYS 29 9.070 14.814 3.341 200 HE2 LYS 29 1HE LYS 29 9.790 12.673 1.402 201 HE3 LYS 29 2HE LYS 29 9.894 14.294 0.745 202 HZ1 LYS 29 1HZ LYS 29 11.410 14.903 2.375 203 HZ2 LYS 29 2HZ LYS 29 11.082 13.622 3.335 204 HZ3 LYS 29 3HZ LYS 29 11.898 13.407 1.936 205 H GLN 30 H GLN 30 5.479 12.647 1.786 206 HA GLN 30 HA GLN 30 5.473 15.304 0.658 207 HB2 GLN 30 1HB GLN 30 5.933 12.526 -0.374 208 HB3 GLN 30 2HB GLN 30 5.270 13.685 -1.509 209 HG2 GLN 30 1HG GLN 30 7.411 14.966 -0.031 210 HG3 GLN 30 2HG GLN 30 7.994 13.427 -0.634 211 HE21 GLN 30 1HE2 GLN 30 8.970 13.586 -2.490 212 HE22 GLN 30 2HE2 GLN 30 8.564 14.626 -3.814 213 H ALA 31 H ALA 31 3.877 15.187 -1.543 214 HA ALA 31 HA ALA 31 1.242 14.955 -0.334 215 HB1 ALA 31 1HB ALA 31 2.170 16.162 -2.972 216 HB2 ALA 31 2HB ALA 31 0.537 16.296 -2.275 217 HB3 ALA 31 3HB ALA 31 1.921 17.057 -1.454 218 H ASP 32 H ASP 32 3.405 13.030 -2.082 219 HA ASP 32 HA ASP 32 1.268 11.760 -3.573 220 HB2 ASP 32 1HB ASP 32 4.025 12.252 -4.081 221 HB3 ASP 32 2HB ASP 32 3.907 10.521 -3.837 222 H GLU 33 H GLU 33 3.302 11.526 -0.726 223 HA GLU 33 HA GLU 33 3.295 8.731 -0.485 224 HB2 GLU 33 1HB GLU 33 3.797 11.008 1.463 225 HB3 GLU 33 2HB GLU 33 3.855 9.334 1.981 226 HG2 GLU 33 1HG GLU 33 5.596 8.845 0.269 227 HG3 GLU 33 2HG GLU 33 5.516 10.499 -0.304 228 H VAL 34 H VAL 34 2.377 8.007 1.986 229 HA VAL 34 HA VAL 34 -0.246 9.058 2.453 230 HB VAL 34 HB VAL 34 -0.840 7.731 0.589 231 HG11 VAL 34 1HG1 VAL 34 -0.291 5.220 0.598 232 HG12 VAL 34 2HG1 VAL 34 1.024 6.348 0.187 233 HG13 VAL 34 3HG1 VAL 34 0.949 5.621 1.811 234 HG21 VAL 34 1HG2 VAL 34 -1.523 6.677 3.292 235 HG22 VAL 34 2HG2 VAL 34 -2.572 7.348 2.020 236 HG23 VAL 34 3HG2 VAL 34 -1.977 5.675 1.892 237 H THR 35 H THR 35 -0.748 8.796 4.594 238 HA THR 35 HA THR 35 1.218 7.657 6.290 239 HB THR 35 HB THR 35 -1.647 8.605 6.826 240 HG1 THR 35 1HG THR 35 -0.653 10.555 6.502 241 HG21 THR 35 1HG2 THR 35 0.190 7.379 8.593 242 HG22 THR 35 2HG2 THR 35 0.435 9.124 8.841 243 HG23 THR 35 3HG2 THR 35 -1.182 8.412 9.061 244 H LEU 36 H LEU 36 1.407 5.702 7.250 245 HA LEU 36 HA LEU 36 -0.837 3.855 6.861 246 HB2 LEU 36 1HB LEU 36 2.026 2.983 6.610 247 HB3 LEU 36 2HB LEU 36 0.569 2.123 6.152 248 HG LEU 36 HG LEU 36 1.421 4.674 4.774 249 HD11 LEU 36 1HD1 LEU 36 3.196 2.828 4.735 250 HD12 LEU 36 2HD1 LEU 36 2.049 1.917 3.724 251 HD13 LEU 36 3HD1 LEU 36 2.661 3.496 3.174 252 HD21 LEU 36 1HD2 LEU 36 -0.793 4.273 4.219 253 HD22 LEU 36 2HD2 LEU 36 0.091 3.478 2.894 254 HD23 LEU 36 3HD2 LEU 36 -0.586 2.505 4.221 255 H GLN 37 H GLN 37 -0.442 1.816 8.344 256 HA GLN 37 HA GLN 37 0.666 2.809 10.852 257 HB2 GLN 37 1HB GLN 37 -2.000 1.512 10.288 258 HB3 GLN 37 2HB GLN 37 -1.236 1.219 11.838 259 HG2 GLN 37 1HG GLN 37 -1.934 3.945 10.651 260 HG3 GLN 37 2HG GLN 37 -2.729 3.168 12.006 261 HE21 GLN 37 1HE2 GLN 37 -0.845 5.610 11.361 262 HE22 GLN 37 2HE2 GLN 37 0.226 5.661 12.721 263 H GLN 38 H GLN 38 0.760 0.707 12.470 264 HA GLN 38 HA GLN 38 2.630 -0.973 11.197 265 HB2 GLN 38 1HB GLN 38 2.935 -0.335 13.530 266 HB3 GLN 38 2HB GLN 38 1.381 -1.012 13.976 267 HG2 GLN 38 1HG GLN 38 2.287 -3.283 13.109 268 HG3 GLN 38 2HG GLN 38 3.865 -2.521 13.061 269 HE21 GLN 38 1HE2 GLN 38 4.875 -3.565 14.655 270 HE22 GLN 38 2HE2 GLN 38 4.419 -3.548 16.326 271 H ALA 39 H ALA 39 2.316 -2.924 10.193 272 HA ALA 39 HA ALA 39 1.358 -4.815 9.545 273 HB1 ALA 39 1HB ALA 39 0.336 -4.426 12.241 274 HB2 ALA 39 2HB ALA 39 -0.876 -5.229 11.215 275 HB3 ALA 39 3HB ALA 39 0.746 -5.938 11.395 276 H ASP 40 H ASP 40 0.783 -2.536 8.141 277 HA ASP 40 HA ASP 40 -2.096 -2.708 7.736 278 HB2 ASP 40 1HB ASP 40 -0.041 -0.533 7.229 279 HB3 ASP 40 2HB ASP 40 -1.552 -0.524 6.342 280 H VAL 41 H VAL 41 -2.815 -3.479 5.711 281 HA VAL 41 HA VAL 41 -0.762 -4.403 3.893 282 HB VAL 41 HB VAL 41 -3.767 -4.727 3.815 283 HG11 VAL 41 1HG1 VAL 41 -2.987 -5.230 1.664 284 HG12 VAL 41 2HG1 VAL 41 -1.490 -5.974 2.275 285 HG13 VAL 41 3HG1 VAL 41 -3.046 -6.815 2.471 286 HG21 VAL 41 1HG2 VAL 41 -1.616 -6.429 5.103 287 HG22 VAL 41 2HG2 VAL 41 -3.043 -5.691 5.870 288 HG23 VAL 41 3HG2 VAL 41 -3.246 -7.036 4.722 289 H VAL 42 H VAL 42 -0.474 -3.688 1.763 290 HA VAL 42 HA VAL 42 -2.184 -1.488 0.895 291 HB VAL 42 HB VAL 42 0.810 -1.419 1.241 292 HG11 VAL 42 1HG1 VAL 42 0.938 0.565 -0.095 293 HG12 VAL 42 2HG1 VAL 42 0.130 -0.684 -1.073 294 HG13 VAL 42 3HG1 VAL 42 -0.828 0.608 -0.311 295 HG21 VAL 42 1HG2 VAL 42 0.473 0.224 2.782 296 HG22 VAL 42 2HG2 VAL 42 -0.974 0.856 1.959 297 HG23 VAL 42 3HG2 VAL 42 -1.089 -0.610 2.961 298 H LEU 43 H LEU 43 -2.754 -1.689 -1.226 299 HA LEU 43 HA LEU 43 -1.605 -3.934 -2.649 300 HB2 LEU 43 1HB LEU 43 -4.014 -3.713 -2.520 301 HB3 LEU 43 2HB LEU 43 -3.943 -2.116 -3.237 302 HG LEU 43 HG LEU 43 -2.709 -3.531 -5.186 303 HD11 LEU 43 1HD1 LEU 43 -4.677 -5.457 -3.920 304 HD12 LEU 43 2HD1 LEU 43 -3.951 -5.639 -5.535 305 HD13 LEU 43 3HD1 LEU 43 -2.918 -5.675 -4.085 306 HD21 LEU 43 1HD2 LEU 43 -5.679 -3.085 -4.798 307 HD22 LEU 43 2HD2 LEU 43 -4.509 -2.006 -5.597 308 HD23 LEU 43 3HD2 LEU 43 -4.926 -3.570 -6.337 309 H VAL 44 H VAL 44 0.263 -3.604 -3.733 310 HA VAL 44 HA VAL 44 1.198 -1.071 -4.438 311 HB VAL 44 HB VAL 44 1.907 -3.840 -5.424 312 HG11 VAL 44 1HG1 VAL 44 3.526 -3.009 -6.744 313 HG12 VAL 44 2HG1 VAL 44 2.615 -1.482 -6.662 314 HG13 VAL 44 3HG1 VAL 44 3.984 -1.763 -5.559 315 HG21 VAL 44 1HG2 VAL 44 3.954 -3.218 -3.864 316 HG22 VAL 44 2HG2 VAL 44 2.755 -2.148 -3.099 317 HG23 VAL 44 3HG2 VAL 44 2.455 -3.900 -3.190 318 H LEU 45 H LEU 45 1.075 0.159 -6.308 319 HA LEU 45 HA LEU 45 -0.671 -0.946 -8.398 320 HB2 LEU 45 1HB LEU 45 -0.563 1.816 -7.202 321 HB3 LEU 45 2HB LEU 45 -1.279 1.503 -8.770 322 HG LEU 45 HG LEU 45 -2.191 -0.028 -6.342 323 HD11 LEU 45 1HD1 LEU 45 -2.965 1.809 -5.367 324 HD12 LEU 45 2HD1 LEU 45 -2.440 2.822 -6.734 325 HD13 LEU 45 3HD1 LEU 45 -4.040 2.042 -6.767 326 HD21 LEU 45 1HD2 LEU 45 -4.252 0.667 -8.207 327 HD22 LEU 45 2HD2 LEU 45 -2.874 -0.032 -9.091 328 HD23 LEU 45 3HD2 LEU 45 -3.630 -0.939 -7.759 329 H GLN 46 H GLN 46 2.132 1.139 -7.543 330 HA GLN 46 HA GLN 46 3.171 0.535 -10.177 331 HB2 GLN 46 1HB GLN 46 2.387 3.212 -9.200 332 HB3 GLN 46 2HB GLN 46 4.041 3.155 -9.775 333 HG2 GLN 46 1HG GLN 46 3.371 3.025 -11.942 334 HG3 GLN 46 2HG GLN 46 2.309 1.674 -11.599 335 HE21 GLN 46 1HE2 GLN 46 0.210 1.960 -11.718 336 HE22 GLN 46 2HE2 GLN 46 -0.635 3.472 -11.761 337 H GLN 47 H GLN 47 5.168 -0.361 -9.922 338 HA GLN 47 HA GLN 47 6.502 0.147 -7.405 339 HB2 GLN 47 1HB GLN 47 6.531 -2.048 -9.442 340 HB3 GLN 47 2HB GLN 47 8.037 -1.760 -8.594 341 HG2 GLN 47 1HG GLN 47 6.568 -1.777 -6.415 342 HG3 GLN 47 2HG GLN 47 5.339 -2.519 -7.420 343 HE21 GLN 47 1HE2 GLN 47 8.838 -2.757 -6.792 344 HE22 GLN 47 2HE2 GLN 47 8.938 -4.486 -6.753 345 H GLU 48 H GLU 48 7.992 1.769 -7.345 346 HA GLU 48 HA GLU 48 9.524 2.183 -9.795 347 HB2 GLU 48 1HB GLU 48 7.871 4.031 -9.165 348 HB3 GLU 48 2HB GLU 48 8.844 4.325 -7.737 349 HG2 GLU 48 1HG GLU 48 10.828 4.383 -9.588 350 HG3 GLU 48 2HG GLU 48 9.496 4.851 -10.626 351 H ASP 49 H ASP 49 11.610 1.525 -9.531 352 HA ASP 49 HA ASP 49 12.765 0.591 -7.378 353 HB2 ASP 49 1HB ASP 49 13.790 2.091 -9.753 354 HB3 ASP 49 2HB ASP 49 14.924 1.940 -8.426 355 H GLY 50 H GLY 50 12.579 1.541 -5.313 356 HA2 GLY 50 1HA GLY 50 13.958 3.112 -3.965 357 HA3 GLY 50 2HA GLY 50 13.421 4.367 -5.064 358 H TRP 51 H TRP 51 10.678 3.466 -5.435 359 HA TRP 51 HA TRP 51 9.595 3.519 -2.724 360 HB2 TRP 51 1HB TRP 51 9.080 5.593 -4.851 361 HB3 TRP 51 2HB TRP 51 7.958 5.292 -3.538 362 HD1 TRP 51 HD TRP 51 11.674 6.397 -3.981 363 HE1 TRP 51 1HE TRP 51 12.422 7.956 -1.988 364 HE3 TRP 51 3HE TRP 51 7.356 5.965 -1.330 365 HZ2 TRP 51 2HZ TRP 51 11.153 8.814 0.420 366 HZ3 TRP 51 3HZ TRP 51 7.193 7.196 0.832 367 HH2 TRP 51 HH TRP 51 9.002 8.583 1.714 368 H LEU 52 H LEU 52 7.509 2.522 -2.612 369 HA LEU 52 HA LEU 52 6.691 1.247 -5.130 370 HB2 LEU 52 1HB LEU 52 6.211 0.056 -2.418 371 HB3 LEU 52 2HB LEU 52 6.161 -0.717 -3.990 372 HG LEU 52 HG LEU 52 8.105 -1.424 -2.689 373 HD11 LEU 52 1HD1 LEU 52 8.545 -1.668 -4.938 374 HD12 LEU 52 2HD1 LEU 52 8.507 0.084 -5.251 375 HD13 LEU 52 3HD1 LEU 52 9.903 -0.641 -4.417 376 HD21 LEU 52 1HD2 LEU 52 8.238 1.008 -1.629 377 HD22 LEU 52 2HD2 LEU 52 9.659 -0.059 -1.733 378 HD23 LEU 52 3HD2 LEU 52 9.430 1.238 -2.931 379 H TYR 53 H TYR 53 4.821 2.063 -5.887 380 HA TYR 53 HA TYR 53 3.099 3.501 -4.053 381 HB2 TYR 53 1HB TYR 53 3.848 4.209 -6.434 382 HB3 TYR 53 2HB TYR 53 2.931 2.855 -7.062 383 HD1 TYR 53 1HD TYR 53 2.435 5.845 -4.842 384 HD2 TYR 53 2HD TYR 53 0.766 3.249 -7.806 385 HE1 TYR 53 1HE TYR 53 0.352 7.298 -4.952 386 HE2 TYR 53 2HE TYR 53 -1.311 4.711 -7.906 387 HH TYR 53 HH TYR 53 -1.892 7.179 -5.576 388 H GLY 54 H GLY 54 0.932 2.979 -3.591 389 HA2 GLY 54 1HA GLY 54 -0.359 0.732 -4.807 390 HA3 GLY 54 2HA GLY 54 0.255 0.353 -3.211 391 H GLU 55 H GLU 55 -2.231 0.077 -2.934 392 HA GLU 55 HA GLU 55 -3.251 2.660 -2.045 393 HB2 GLU 55 1HB GLU 55 -4.524 2.140 -4.015 394 HB3 GLU 55 2HB GLU 55 -4.707 0.459 -3.553 395 HG2 GLU 55 1HG GLU 55 -5.745 2.095 -1.407 396 HG3 GLU 55 2HG GLU 55 -6.427 2.679 -2.911 397 H ARG 56 H ARG 56 -3.589 2.682 0.133 398 HA ARG 56 HA ARG 56 -3.261 0.357 1.618 399 HB2 ARG 56 1HB ARG 56 -2.901 2.843 2.309 400 HB3 ARG 56 2HB ARG 56 -4.627 2.900 2.608 401 HG2 ARG 56 1HG ARG 56 -4.421 1.004 4.219 402 HG3 ARG 56 2HG ARG 56 -2.699 0.915 3.906 403 HD2 ARG 56 1HD ARG 56 -3.178 2.198 5.989 404 HD3 ARG 56 2HD ARG 56 -2.373 3.199 4.796 405 HE ARG 56 HE ARG 56 -5.179 3.483 4.398 406 HH11 ARG 56 2HH2 ARG 56 -2.744 4.269 6.813 407 HH12 ARG 56 1HH2 ARG 56 -3.603 5.647 7.416 408 HH21 ARG 56 2HH1 ARG 56 -6.313 5.301 5.193 409 HH22 ARG 56 1HH1 ARG 56 -5.646 6.238 6.488 410 H LEU 57 H LEU 57 -4.766 -1.307 1.392 411 HA LEU 57 HA LEU 57 -7.414 -1.008 0.731 412 HB2 LEU 57 1HB LEU 57 -6.038 -3.171 2.327 413 HB3 LEU 57 2HB LEU 57 -7.669 -3.294 1.698 414 HG LEU 57 HG LEU 57 -6.413 -4.449 0.132 415 HD11 LEU 57 1HD1 LEU 57 -6.278 -1.733 -1.162 416 HD12 LEU 57 2HD1 LEU 57 -6.674 -3.310 -1.885 417 HD13 LEU 57 3HD1 LEU 57 -7.836 -2.513 -0.797 418 HD21 LEU 57 1HD2 LEU 57 -4.218 -4.193 -0.346 419 HD22 LEU 57 2HD2 LEU 57 -4.308 -2.415 -0.359 420 HD23 LEU 57 3HD2 LEU 57 -4.231 -3.291 1.189 421 H ARG 58 H ARG 58 -5.775 -0.296 3.729 422 HA ARG 58 HA ARG 58 -7.630 -0.756 5.599 423 HB2 ARG 58 1HB ARG 58 -5.383 0.268 6.004 424 HB3 ARG 58 2HB ARG 58 -5.935 1.776 5.301 425 HG2 ARG 58 1HG ARG 58 -7.721 1.915 7.081 426 HG3 ARG 58 2HG ARG 58 -7.082 0.452 7.805 427 HD2 ARG 58 1HD ARG 58 -5.350 1.567 8.796 428 HD3 ARG 58 2HD ARG 58 -4.961 2.443 7.329 429 HE ARG 58 HE ARG 58 -7.372 3.559 8.297 430 HH11 ARG 58 2HH2 ARG 58 -4.040 3.235 9.381 431 HH12 ARG 58 1HH2 ARG 58 -4.073 4.684 10.330 432 HH21 ARG 58 2HH1 ARG 58 -7.416 5.471 9.548 433 HH22 ARG 58 1HH1 ARG 58 -6.006 5.964 10.425 434 H ASP 59 H ASP 59 -7.287 2.436 3.863 435 HA ASP 59 HA ASP 59 -10.143 2.793 4.324 436 HB2 ASP 59 1HB ASP 59 -8.820 4.514 5.439 437 HB3 ASP 59 2HB ASP 59 -7.867 4.796 3.996 438 H GLY 60 H GLY 60 -7.458 2.612 2.033 439 HA2 GLY 60 1HA GLY 60 -7.960 1.992 -0.224 440 HA3 GLY 60 2HA GLY 60 -9.344 3.065 -0.194 441 H GLU 61 H GLU 61 -6.665 4.402 1.521 442 HA GLU 61 HA GLU 61 -6.426 6.469 -0.354 443 HB2 GLU 61 1HB GLU 61 -5.702 6.008 2.344 444 HB3 GLU 61 2HB GLU 61 -4.187 6.315 1.519 445 HG2 GLU 61 1HG GLU 61 -5.682 8.296 0.400 446 HG3 GLU 61 2HG GLU 61 -6.537 8.139 1.921 447 H THR 62 H THR 62 -5.101 6.676 -2.120 448 HA THR 62 HA THR 62 -3.056 4.590 -2.464 449 HB THR 62 HB THR 62 -4.102 6.354 -4.690 450 HG1 THR 62 1HG THR 62 -6.032 5.114 -4.650 451 HG21 THR 62 1HG2 THR 62 -3.104 3.510 -4.328 452 HG22 THR 62 2HG2 THR 62 -4.199 3.886 -5.680 453 HG23 THR 62 3HG2 THR 62 -2.627 4.712 -5.551 454 H GLY 63 H GLY 63 -1.048 5.170 -1.947 455 HA2 GLY 63 1HA GLY 63 -0.102 7.781 -2.887 456 HA3 GLY 63 2HA GLY 63 0.018 7.426 -1.175 457 H TRP 64 H TRP 64 2.418 7.825 -1.973 458 HA TRP 64 HA TRP 64 3.541 5.392 -3.123 459 HB2 TRP 64 1HB TRP 64 4.584 8.177 -2.666 460 HB3 TRP 64 2HB TRP 64 5.667 6.842 -3.008 461 HD1 TRP 64 HD TRP 64 2.983 9.001 -4.719 462 HE1 TRP 64 1HE TRP 64 3.035 8.702 -7.341 463 HE3 TRP 64 3HE TRP 64 6.292 5.140 -4.738 464 HZ2 TRP 64 2HZ TRP 64 4.424 6.924 -9.089 465 HZ3 TRP 64 3HZ TRP 64 6.943 4.180 -6.944 466 HH2 TRP 64 HH TRP 64 6.067 5.010 -9.069 467 H PHE 65 H PHE 65 4.678 3.917 -1.884 468 HA PHE 65 HA PHE 65 5.373 4.737 0.835 469 HB2 PHE 65 1HB PHE 65 4.252 2.796 1.717 470 HB3 PHE 65 2HB PHE 65 3.130 3.382 0.506 471 HD1 PHE 65 1HD PHE 65 5.926 0.964 0.950 472 HD2 PHE 65 2HD PHE 65 2.382 1.948 -1.166 473 HE1 PHE 65 1HE PHE 65 5.983 -1.274 -0.185 474 HE2 PHE 65 2HE PHE 65 2.439 -0.290 -2.301 475 HZ PHE 65 HZ PHE 65 4.238 -1.874 -1.797 476 HA PRO 66 HA PRO 66 9.049 2.736 -0.368 477 HB2 PRO 66 1HB PRO 66 10.436 3.007 1.972 478 HB3 PRO 66 2HB PRO 66 10.338 4.273 0.763 479 HG2 PRO 66 1HG PRO 66 8.951 4.085 3.367 480 HG3 PRO 66 2HG PRO 66 9.203 5.495 2.357 481 HD2 PRO 66 1HD PRO 66 6.772 3.998 2.639 482 HD3 PRO 66 2HD PRO 66 7.059 5.336 1.543 483 H GLU 67 H GLU 67 10.264 0.797 -0.174 484 HA GLU 67 HA GLU 67 8.612 -1.230 0.887 485 HB2 GLU 67 1HB GLU 67 10.669 -2.683 0.228 486 HB3 GLU 67 2HB GLU 67 9.794 -1.862 -1.049 487 HG2 GLU 67 1HG GLU 67 11.577 -0.536 -1.574 488 HG3 GLU 67 2HG GLU 67 11.901 -0.155 0.105 489 H ASP 68 H ASP 68 11.546 0.516 1.936 490 HA ASP 68 HA ASP 68 12.490 -1.166 3.827 491 HB2 ASP 68 1HB ASP 68 12.825 1.544 3.097 492 HB3 ASP 68 2HB ASP 68 12.394 1.612 4.794 493 H PHE 69 H PHE 69 9.470 0.625 3.714 494 HA PHE 69 HA PHE 69 9.025 0.123 6.568 495 HB2 PHE 69 1HB PHE 69 7.776 1.985 4.464 496 HB3 PHE 69 2HB PHE 69 7.103 1.812 6.073 497 HD1 PHE 69 2HD PHE 69 10.233 2.764 4.302 498 HD2 PHE 69 1HD PHE 69 7.887 3.146 7.818 499 HE1 PHE 69 2HE PHE 69 11.784 4.549 5.144 500 HE2 PHE 69 1HE PHE 69 9.439 4.931 8.659 501 HZ PHE 69 HZ PHE 69 11.369 5.611 7.312 502 H ALA 70 H ALA 70 8.802 -1.773 4.125 503 HA ALA 70 HA ALA 70 6.227 -2.826 4.906 504 HB1 ALA 70 1HB ALA 70 6.730 -1.453 2.332 505 HB2 ALA 70 2HB ALA 70 6.009 -3.073 2.177 506 HB3 ALA 70 3HB ALA 70 5.193 -1.825 3.149 507 H ARG 71 H ARG 71 5.917 -5.051 3.770 508 HA ARG 71 HA ARG 71 8.516 -6.185 3.168 509 HB2 ARG 71 1HB ARG 71 6.712 -6.862 5.444 510 HB3 ARG 71 2HB ARG 71 7.272 -8.255 4.541 511 HG2 ARG 71 1HG ARG 71 9.632 -6.904 4.755 512 HG3 ARG 71 2HG ARG 71 8.840 -6.307 6.200 513 HD2 ARG 71 1HD ARG 71 9.622 -8.225 7.176 514 HD3 ARG 71 2HD ARG 71 8.265 -9.001 6.385 515 HE ARG 71 HE ARG 71 9.767 -10.079 4.963 516 HH11 ARG 71 2HH2 ARG 71 11.332 -7.223 6.296 517 HH12 ARG 71 1HH2 ARG 71 12.870 -7.575 5.580 518 HH21 ARG 71 2HH1 ARG 71 11.795 -10.544 4.018 519 HH22 ARG 71 1HH1 ARG 71 13.135 -9.476 4.276 520 H PHE 72 H PHE 72 8.276 -6.956 1.088 521 HA PHE 72 HA PHE 72 5.889 -7.363 -0.187 522 HB2 PHE 72 1HB PHE 72 8.783 -8.100 -0.453 523 HB3 PHE 72 2HB PHE 72 7.714 -9.165 -1.344 524 HD1 PHE 72 2HD PHE 72 6.174 -8.175 -3.074 525 HD2 PHE 72 1HD PHE 72 9.276 -5.928 -1.248 526 HE1 PHE 72 2HE PHE 72 6.058 -6.499 -4.939 527 HE2 PHE 72 1HE PHE 72 9.160 -4.252 -3.113 528 HZ PHE 72 HZ PHE 72 7.552 -4.558 -4.937 529 H ILE 73 H ILE 73 4.270 -8.652 0.631 530 HA ILE 73 HA ILE 73 4.746 -10.994 2.083 531 HB ILE 73 HB ILE 73 2.296 -10.045 0.592 532 HG12 ILE 73 1HG1 ILE 73 3.071 -9.748 3.510 533 HG13 ILE 73 2HG1 ILE 73 3.155 -8.476 2.307 534 HG21 ILE 73 1HG2 ILE 73 1.298 -11.951 1.119 535 HG22 ILE 73 2HG2 ILE 73 2.815 -12.563 1.820 536 HG23 ILE 73 3HG2 ILE 73 1.657 -11.675 2.840 537 HD11 ILE 73 1HD1 ILE 73 0.754 -8.501 1.973 538 HD12 ILE 73 2HD1 ILE 73 0.584 -9.991 2.933 539 HD13 ILE 73 3HD1 ILE 73 1.043 -8.466 3.729 540 H SER 74 H SER 74 3.692 -10.507 -1.361 541 HA SER 74 HA SER 74 5.106 -12.944 -1.981 542 HB2 SER 74 1HB SER 74 2.410 -13.123 -1.554 543 HB3 SER 74 2HB SER 74 2.412 -12.712 -3.257 544 HG SER 74 HG SER 74 4.248 -14.547 -3.182 545 H GLY 75 H GLY 75 6.148 -12.785 -3.973 546 HA2 GLY 75 1HA GLY 75 5.317 -11.548 -6.252 547 HA3 GLY 75 2HA GLY 75 6.041 -10.251 -5.323 548 HA PRO 76 HA PRO 76 10.007 -11.703 -6.326 549 HB2 PRO 76 1HB PRO 76 11.505 -11.343 -4.070 550 HB3 PRO 76 2HB PRO 76 11.072 -10.034 -5.152 551 HG2 PRO 76 1HG PRO 76 9.964 -10.680 -2.488 552 HG3 PRO 76 2HG PRO 76 9.864 -9.177 -3.384 553 HD2 PRO 76 1HD PRO 76 7.788 -11.133 -3.076 554 HD3 PRO 76 2HD PRO 76 7.728 -9.688 -4.065 555 H SER 77 H SER 77 11.907 -13.209 -5.912 556 HA SER 77 HA SER 77 11.074 -15.387 -4.225 557 HB2 SER 77 1HB SER 77 11.692 -15.802 -7.184 558 HB3 SER 77 2HB SER 77 11.369 -17.073 -6.021 559 HG SER 77 HG SER 77 9.572 -15.161 -7.163 560 H SER 78 H SER 78 13.446 -14.520 -6.856 561 HA SER 78 HA SER 78 15.528 -15.747 -5.311 562 HB2 SER 78 1HB SER 78 16.940 -15.320 -7.271 563 HB3 SER 78 2HB SER 78 15.427 -16.046 -7.776 564 HG SER 78 HG SER 78 15.049 -14.331 -8.987 565 H GLY 79 H GLY 79 17.079 -14.649 -4.103 566 HA2 GLY 79 1HA GLY 79 18.136 -12.949 -3.083 567 HA3 GLY 79 2HA GLY 79 17.862 -11.990 -4.524 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -11.578 19.757 4.131 2 HA2 GLY 1 1HA GLY 1 -11.449 21.583 1.959 3 HA3 GLY 1 2HA GLY 1 -10.337 20.279 2.323 4 H SER 2 H SER 2 -11.475 21.152 -0.310 5 HA SER 2 HA SER 2 -11.989 18.586 -1.294 6 HB2 SER 2 1HB SER 2 -14.298 19.008 -2.182 7 HB3 SER 2 2HB SER 2 -14.242 18.884 -0.434 8 HG SER 2 HG SER 2 -14.231 21.243 -0.335 9 H SER 3 H SER 3 -11.937 18.573 -3.658 10 HA SER 3 HA SER 3 -11.809 21.120 -4.959 11 HB2 SER 3 1HB SER 3 -9.389 19.267 -5.046 12 HB3 SER 3 2HB SER 3 -9.552 20.801 -5.878 13 HG SER 3 HG SER 3 -9.538 20.424 -3.003 14 H GLY 4 H GLY 4 -10.807 17.638 -5.376 15 HA2 GLY 4 1HA GLY 4 -12.887 16.880 -7.038 16 HA3 GLY 4 2HA GLY 4 -11.638 17.518 -8.089 17 H SER 5 H SER 5 -10.765 15.683 -9.024 18 HA SER 5 HA SER 5 -9.176 14.065 -7.321 19 HB2 SER 5 1HB SER 5 -11.387 12.933 -7.097 20 HB3 SER 5 2HB SER 5 -11.481 12.763 -8.839 21 HG SER 5 HG SER 5 -9.708 11.336 -8.821 22 H SER 6 H SER 6 -7.615 12.787 -8.574 23 HA SER 6 HA SER 6 -7.483 13.751 -11.315 24 HB2 SER 6 1HB SER 6 -5.075 13.363 -11.186 25 HB3 SER 6 2HB SER 6 -5.576 14.328 -9.813 26 HG SER 6 HG SER 6 -4.261 12.743 -8.950 27 H GLY 7 H GLY 7 -6.348 12.122 -12.883 28 HA2 GLY 7 1HA GLY 7 -6.169 10.068 -13.813 29 HA3 GLY 7 2HA GLY 7 -6.503 9.337 -12.256 30 H TRP 8 H TRP 8 -7.571 8.473 -14.838 31 HA TRP 8 HA TRP 8 -10.390 9.235 -14.593 32 HB2 TRP 8 1HB TRP 8 -8.681 8.922 -16.807 33 HB3 TRP 8 2HB TRP 8 -9.777 7.555 -16.855 34 HD1 TRP 8 HD TRP 8 -12.446 8.150 -17.174 35 HE1 TRP 8 1HE TRP 8 -13.749 10.216 -18.173 36 HE3 TRP 8 3HE TRP 8 -8.531 11.388 -16.967 37 HZ2 TRP 8 2HZ TRP 8 -13.013 12.912 -18.752 38 HZ3 TRP 8 3HZ TRP 8 -8.907 13.719 -17.768 39 HH2 TRP 8 HH TRP 8 -11.055 14.497 -18.638 40 H GLN 9 H GLN 9 -11.032 7.945 -12.818 41 HA GLN 9 HA GLN 9 -10.191 5.276 -12.590 42 HB2 GLN 9 1HB GLN 9 -11.208 7.039 -10.837 43 HB3 GLN 9 2HB GLN 9 -12.712 6.247 -11.261 44 HG2 GLN 9 1HG GLN 9 -10.214 4.727 -10.384 45 HG3 GLN 9 2HG GLN 9 -11.469 5.233 -9.270 46 HE21 GLN 9 1HE2 GLN 9 -10.395 2.610 -10.516 47 HE22 GLN 9 2HE2 GLN 9 -11.821 1.716 -10.925 48 H GLY 10 H GLY 10 -10.725 3.814 -14.178 49 HA2 GLY 10 1HA GLY 10 -13.200 2.703 -14.438 50 HA3 GLY 10 2HA GLY 10 -13.204 3.998 -15.618 51 H LEU 11 H LEU 11 -10.893 4.123 -16.875 52 HA LEU 11 HA LEU 11 -10.745 1.628 -18.250 53 HB2 LEU 11 1HB LEU 11 -9.280 4.250 -18.540 54 HB3 LEU 11 2HB LEU 11 -8.995 2.864 -19.575 55 HG LEU 11 HG LEU 11 -11.705 4.176 -19.259 56 HD11 LEU 11 1HD1 LEU 11 -11.261 5.246 -21.448 57 HD12 LEU 11 2HD1 LEU 11 -10.194 5.835 -20.150 58 HD13 LEU 11 3HD1 LEU 11 -9.576 4.680 -21.355 59 HD21 LEU 11 1HD2 LEU 11 -10.700 1.830 -20.703 60 HD22 LEU 11 2HD2 LEU 11 -12.362 2.287 -20.258 61 HD23 LEU 11 3HD2 LEU 11 -11.615 2.965 -21.725 62 H SER 12 H SER 12 -10.066 0.155 -16.575 63 HA SER 12 HA SER 12 -7.357 -0.281 -16.573 64 HB2 SER 12 1HB SER 12 -8.163 1.659 -14.584 65 HB3 SER 12 2HB SER 12 -7.644 0.204 -13.758 66 HG SER 12 HG SER 12 -5.844 1.605 -14.134 67 H SER 13 H SER 13 -7.319 -2.490 -16.393 68 HA SER 13 HA SER 13 -9.583 -3.791 -15.275 69 HB2 SER 13 1HB SER 13 -7.191 -4.534 -16.872 70 HB3 SER 13 2HB SER 13 -7.725 -5.785 -15.767 71 HG SER 13 HG SER 13 -8.708 -5.512 -18.096 72 H LYS 14 H LYS 14 -5.999 -4.072 -14.652 73 HA LYS 14 HA LYS 14 -4.849 -4.419 -12.800 74 HB2 LYS 14 1HB LYS 14 -7.331 -3.232 -11.556 75 HB3 LYS 14 2HB LYS 14 -5.979 -3.762 -10.577 76 HG2 LYS 14 1HG LYS 14 -4.642 -2.016 -11.237 77 HG3 LYS 14 2HG LYS 14 -5.170 -2.107 -12.905 78 HD2 LYS 14 1HD LYS 14 -6.111 -0.064 -12.277 79 HD3 LYS 14 2HD LYS 14 -7.454 -1.143 -11.954 80 HE2 LYS 14 1HE LYS 14 -5.403 -0.397 -9.822 81 HE3 LYS 14 2HE LYS 14 -6.867 0.529 -10.084 82 HZ1 LYS 14 1HZ LYS 14 -7.311 -1.058 -8.435 83 HZ2 LYS 14 2HZ LYS 14 -8.083 -1.593 -9.771 84 HZ3 LYS 14 3HZ LYS 14 -6.684 -2.292 -9.302 85 H GLY 15 H GLY 15 -5.006 -5.728 -10.533 86 HA2 GLY 15 1HA GLY 15 -6.484 -7.554 -9.611 87 HA3 GLY 15 2HA GLY 15 -6.418 -8.229 -11.227 88 H ASP 16 H ASP 16 -5.451 -9.454 -8.719 89 HA ASP 16 HA ASP 16 -3.677 -10.346 -7.796 90 HB2 ASP 16 1HB ASP 16 -2.553 -10.650 -10.604 91 HB3 ASP 16 2HB ASP 16 -2.416 -11.771 -9.263 92 H LEU 17 H LEU 17 -2.973 -8.072 -7.044 93 HA LEU 17 HA LEU 17 -0.527 -7.231 -8.435 94 HB2 LEU 17 1HB LEU 17 -2.656 -5.730 -6.954 95 HB3 LEU 17 2HB LEU 17 -1.028 -5.085 -7.030 96 HG LEU 17 HG LEU 17 -2.813 -5.718 -9.395 97 HD11 LEU 17 1HD1 LEU 17 -3.303 -3.675 -7.912 98 HD12 LEU 17 2HD1 LEU 17 -1.803 -2.996 -8.589 99 HD13 LEU 17 3HD1 LEU 17 -3.153 -3.425 -9.668 100 HD21 LEU 17 1HD2 LEU 17 -0.632 -6.158 -10.155 101 HD22 LEU 17 2HD2 LEU 17 -0.981 -4.492 -10.677 102 HD23 LEU 17 3HD2 LEU 17 0.053 -4.782 -9.257 103 HA PRO 18 HA PRO 18 1.720 -8.168 -4.873 104 HB2 PRO 18 1HB PRO 18 3.695 -6.280 -4.850 105 HB3 PRO 18 2HB PRO 18 3.729 -7.689 -5.890 106 HG2 PRO 18 1HG PRO 18 3.135 -4.880 -6.594 107 HG3 PRO 18 2HG PRO 18 3.588 -6.204 -7.649 108 HD2 PRO 18 1HD PRO 18 0.960 -5.111 -7.299 109 HD3 PRO 18 2HD PRO 18 1.394 -6.508 -8.265 110 H GLN 19 H GLN 19 1.525 -8.078 -2.708 111 HA GLN 19 HA GLN 19 0.659 -5.451 -1.775 112 HB2 GLN 19 1HB GLN 19 -0.217 -8.217 -0.839 113 HB3 GLN 19 2HB GLN 19 -0.612 -6.738 0.014 114 HG2 GLN 19 1HG GLN 19 -1.627 -5.876 -2.193 115 HG3 GLN 19 2HG GLN 19 -1.437 -7.501 -2.821 116 HE21 GLN 19 1HE2 GLN 19 -3.687 -7.622 -3.071 117 HE22 GLN 19 2HE2 GLN 19 -4.750 -7.947 -1.743 118 H VAL 20 H VAL 20 1.525 -4.693 0.226 119 HA VAL 20 HA VAL 20 3.585 -6.408 1.409 120 HB VAL 20 HB VAL 20 5.105 -4.546 1.534 121 HG11 VAL 20 1HG1 VAL 20 4.622 -5.987 -0.692 122 HG12 VAL 20 2HG1 VAL 20 4.349 -4.350 -1.337 123 HG13 VAL 20 3HG1 VAL 20 5.908 -4.762 -0.582 124 HG21 VAL 20 1HG2 VAL 20 3.157 -2.833 1.610 125 HG22 VAL 20 2HG2 VAL 20 4.680 -2.363 0.818 126 HG23 VAL 20 3HG2 VAL 20 3.279 -2.851 -0.166 127 H GLU 21 H GLU 21 3.720 -6.301 3.656 128 HA GLU 21 HA GLU 21 1.539 -4.823 4.855 129 HB2 GLU 21 1HB GLU 21 1.713 -7.248 5.336 130 HB3 GLU 21 2HB GLU 21 3.327 -7.024 5.980 131 HG2 GLU 21 1HG GLU 21 2.490 -5.650 7.816 132 HG3 GLU 21 2HG GLU 21 0.889 -5.578 7.108 133 H ILE 22 H ILE 22 1.930 -2.884 5.826 134 HA ILE 22 HA ILE 22 4.543 -1.887 6.075 135 HB ILE 22 HB ILE 22 1.967 -0.907 7.312 136 HG12 ILE 22 1HG1 ILE 22 1.702 -1.159 4.917 137 HG13 ILE 22 2HG1 ILE 22 1.793 0.540 5.337 138 HG21 ILE 22 1HG2 ILE 22 3.209 0.649 8.289 139 HG22 ILE 22 2HG2 ILE 22 4.686 0.024 7.516 140 HG23 ILE 22 3HG2 ILE 22 3.684 1.231 6.675 141 HD11 ILE 22 1HD1 ILE 22 4.201 0.584 4.700 142 HD12 ILE 22 2HD1 ILE 22 4.111 -1.143 4.277 143 HD13 ILE 22 3HD1 ILE 22 3.177 0.051 3.344 144 H THR 23 H THR 23 6.036 -2.716 7.441 145 HA THR 23 HA THR 23 5.336 -4.139 9.777 146 HB THR 23 HB THR 23 7.745 -4.306 10.031 147 HG1 THR 23 1HG THR 23 7.561 -1.914 8.346 148 HG21 THR 23 1HG2 THR 23 6.554 -4.759 7.494 149 HG22 THR 23 2HG2 THR 23 8.031 -3.826 7.149 150 HG23 THR 23 3HG2 THR 23 8.137 -5.363 8.040 151 H LYS 24 H LYS 24 6.196 -0.722 9.144 152 HA LYS 24 HA LYS 24 5.272 -0.148 11.847 153 HB2 LYS 24 1HB LYS 24 7.158 1.256 12.358 154 HB3 LYS 24 2HB LYS 24 7.734 -0.354 11.977 155 HG2 LYS 24 1HG LYS 24 7.536 1.544 9.666 156 HG3 LYS 24 2HG LYS 24 8.765 1.917 10.859 157 HD2 LYS 24 1HD LYS 24 8.856 -0.927 10.333 158 HD3 LYS 24 2HD LYS 24 8.842 -0.088 8.794 159 HE2 LYS 24 1HE LYS 24 11.045 0.373 9.074 160 HE3 LYS 24 2HE LYS 24 10.625 1.407 10.425 161 HZ1 LYS 24 1HZ LYS 24 10.509 -0.930 11.598 162 HZ2 LYS 24 2HZ LYS 24 11.606 -1.302 10.447 163 HZ3 LYS 24 3HZ LYS 24 11.899 -0.079 11.489 164 H ALA 25 H ALA 25 4.439 2.024 12.088 165 HA ALA 25 HA ALA 25 2.924 2.905 10.003 166 HB1 ALA 25 1HB ALA 25 3.262 3.558 12.639 167 HB2 ALA 25 2HB ALA 25 3.918 5.010 11.845 168 HB3 ALA 25 3HB ALA 25 2.253 4.482 11.501 169 H PHE 26 H PHE 26 3.072 4.918 8.683 170 HA PHE 26 HA PHE 26 5.803 5.793 8.194 171 HB2 PHE 26 1HB PHE 26 5.580 4.062 6.532 172 HB3 PHE 26 2HB PHE 26 3.862 4.349 6.339 173 HD1 PHE 26 1HD PHE 26 6.949 6.438 5.996 174 HD2 PHE 26 2HD PHE 26 3.313 5.121 4.250 175 HE1 PHE 26 1HE PHE 26 7.412 7.846 3.971 176 HE2 PHE 26 2HE PHE 26 3.776 6.530 2.224 177 HZ PHE 26 HZ PHE 26 5.820 7.876 2.109 178 H PHE 27 H PHE 27 4.952 7.745 9.270 179 HA PHE 27 HA PHE 27 2.711 9.103 8.304 180 HB2 PHE 27 1HB PHE 27 5.309 9.905 9.735 181 HB3 PHE 27 2HB PHE 27 4.008 11.052 9.485 182 HD1 PHE 27 1HD PHE 27 1.748 10.557 10.522 183 HD2 PHE 27 2HD PHE 27 5.252 8.389 11.536 184 HE1 PHE 27 1HE PHE 27 0.650 9.772 12.638 185 HE2 PHE 27 2HE PHE 27 4.154 7.604 13.653 186 HZ PHE 27 HZ PHE 27 1.866 8.305 14.178 187 H ALA 28 H ALA 28 2.543 9.589 6.134 188 HA ALA 28 HA ALA 28 4.681 10.160 4.465 189 HB1 ALA 28 1HB ALA 28 1.721 10.370 4.426 190 HB2 ALA 28 2HB ALA 28 2.569 11.454 3.298 191 HB3 ALA 28 3HB ALA 28 2.837 9.696 3.215 192 H LYS 29 H LYS 29 5.691 12.072 3.786 193 HA LYS 29 HA LYS 29 5.114 14.380 5.503 194 HB2 LYS 29 1HB LYS 29 7.391 14.970 5.388 195 HB3 LYS 29 2HB LYS 29 7.372 13.243 5.680 196 HG2 LYS 29 1HG LYS 29 8.735 13.048 3.871 197 HG3 LYS 29 2HG LYS 29 7.321 13.378 2.890 198 HD2 LYS 29 1HD LYS 29 8.369 15.246 2.143 199 HD3 LYS 29 2HD LYS 29 8.158 15.932 3.741 200 HE2 LYS 29 1HE LYS 29 10.488 16.094 3.454 201 HE3 LYS 29 2HE LYS 29 10.344 14.601 4.361 202 HZ1 LYS 29 1HZ LYS 29 10.098 13.789 1.818 203 HZ2 LYS 29 2HZ LYS 29 11.189 14.995 1.675 204 HZ3 LYS 29 3HZ LYS 29 11.482 13.745 2.684 205 H GLN 30 H GLN 30 5.493 13.161 2.178 206 HA GLN 30 HA GLN 30 5.101 15.839 1.169 207 HB2 GLN 30 1HB GLN 30 6.120 13.263 0.088 208 HB3 GLN 30 2HB GLN 30 5.167 14.197 -1.048 209 HG2 GLN 30 1HG GLN 30 7.230 15.693 0.551 210 HG3 GLN 30 2HG GLN 30 7.822 14.607 -0.691 211 HE21 GLN 30 1HE2 GLN 30 7.485 17.645 -0.266 212 HE22 GLN 30 2HE2 GLN 30 6.857 18.226 -1.772 213 H ALA 31 H ALA 31 3.620 15.466 -1.138 214 HA ALA 31 HA ALA 31 1.021 14.764 -0.002 215 HB1 ALA 31 1HB ALA 31 1.624 17.047 -1.085 216 HB2 ALA 31 2HB ALA 31 1.533 16.172 -2.633 217 HB3 ALA 31 3HB ALA 31 0.104 16.262 -1.575 218 H ASP 32 H ASP 32 3.518 13.365 -1.784 219 HA ASP 32 HA ASP 32 1.731 11.954 -3.555 220 HB2 ASP 32 1HB ASP 32 4.070 10.812 -4.122 221 HB3 ASP 32 2HB ASP 32 3.681 12.406 -4.737 222 H GLU 33 H GLU 33 3.352 11.708 -0.461 223 HA GLU 33 HA GLU 33 3.344 8.839 -0.467 224 HB2 GLU 33 1HB GLU 33 4.048 10.858 1.709 225 HB3 GLU 33 2HB GLU 33 4.239 9.124 1.870 226 HG2 GLU 33 1HG GLU 33 6.103 9.063 0.523 227 HG3 GLU 33 2HG GLU 33 5.461 10.248 -0.598 228 H VAL 34 H VAL 34 2.434 7.864 1.799 229 HA VAL 34 HA VAL 34 -0.071 9.158 2.499 230 HB VAL 34 HB VAL 34 -0.760 7.832 0.654 231 HG11 VAL 34 1HG1 VAL 34 0.421 5.337 1.883 232 HG12 VAL 34 2HG1 VAL 34 -0.172 5.597 0.225 233 HG13 VAL 34 3HG1 VAL 34 1.348 6.356 0.755 234 HG21 VAL 34 1HG2 VAL 34 -2.567 7.078 1.731 235 HG22 VAL 34 2HG2 VAL 34 -1.627 5.812 2.557 236 HG23 VAL 34 3HG2 VAL 34 -1.722 7.447 3.254 237 H THR 35 H THR 35 -0.798 8.598 4.595 238 HA THR 35 HA THR 35 1.276 7.565 6.288 239 HB THR 35 HB THR 35 -1.598 8.498 6.803 240 HG1 THR 35 1HG THR 35 1.007 9.730 7.303 241 HG21 THR 35 1HG2 THR 35 -0.609 8.979 9.118 242 HG22 THR 35 2HG2 THR 35 -0.844 7.250 8.765 243 HG23 THR 35 3HG2 THR 35 0.781 7.968 8.655 244 H LEU 36 H LEU 36 1.442 5.624 7.321 245 HA LEU 36 HA LEU 36 -0.752 3.739 6.879 246 HB2 LEU 36 1HB LEU 36 2.120 2.918 6.553 247 HB3 LEU 36 2HB LEU 36 0.670 2.034 6.123 248 HG LEU 36 HG LEU 36 1.403 4.622 4.753 249 HD11 LEU 36 1HD1 LEU 36 2.143 1.916 3.651 250 HD12 LEU 36 2HD1 LEU 36 2.687 3.531 3.135 251 HD13 LEU 36 3HD1 LEU 36 3.260 2.849 4.677 252 HD21 LEU 36 1HD2 LEU 36 0.104 3.378 2.882 253 HD22 LEU 36 2HD2 LEU 36 -0.503 2.361 4.211 254 HD23 LEU 36 3HD2 LEU 36 -0.797 4.117 4.227 255 H GLN 37 H GLN 37 -0.684 1.886 8.425 256 HA GLN 37 HA GLN 37 0.600 2.774 10.890 257 HB2 GLN 37 1HB GLN 37 -1.999 1.240 10.463 258 HB3 GLN 37 2HB GLN 37 -1.255 1.451 12.036 259 HG2 GLN 37 1HG GLN 37 -1.838 3.851 10.263 260 HG3 GLN 37 2HG GLN 37 -3.092 3.162 11.275 261 HE21 GLN 37 1HE2 GLN 37 -1.004 5.574 11.139 262 HE22 GLN 37 2HE2 GLN 37 -0.597 5.821 12.804 263 H GLN 38 H GLN 38 1.042 0.861 12.471 264 HA GLN 38 HA GLN 38 2.743 -0.897 11.159 265 HB2 GLN 38 1HB GLN 38 3.150 -0.232 13.463 266 HB3 GLN 38 2HB GLN 38 1.612 -0.888 13.987 267 HG2 GLN 38 1HG GLN 38 2.338 -3.118 13.819 268 HG3 GLN 38 2HG GLN 38 3.546 -2.748 12.605 269 HE21 GLN 38 1HE2 GLN 38 5.572 -2.237 13.172 270 HE22 GLN 38 2HE2 GLN 38 6.172 -2.150 14.795 271 H ALA 39 H ALA 39 2.430 -2.901 10.250 272 HA ALA 39 HA ALA 39 1.459 -4.809 9.677 273 HB1 ALA 39 1HB ALA 39 0.898 -5.858 11.588 274 HB2 ALA 39 2HB ALA 39 0.462 -4.323 12.375 275 HB3 ALA 39 3HB ALA 39 -0.740 -5.189 11.388 276 H ASP 40 H ASP 40 0.863 -2.593 8.198 277 HA ASP 40 HA ASP 40 -2.022 -2.798 7.837 278 HB2 ASP 40 1HB ASP 40 -0.014 -0.588 7.305 279 HB3 ASP 40 2HB ASP 40 -1.518 -0.622 6.407 280 H VAL 41 H VAL 41 -2.786 -3.334 5.707 281 HA VAL 41 HA VAL 41 -0.719 -4.355 3.928 282 HB VAL 41 HB VAL 41 -3.727 -4.675 3.909 283 HG11 VAL 41 1HG1 VAL 41 -1.522 -5.902 2.238 284 HG12 VAL 41 2HG1 VAL 41 -3.120 -6.665 2.418 285 HG13 VAL 41 3HG1 VAL 41 -2.985 -5.044 1.695 286 HG21 VAL 41 1HG2 VAL 41 -2.009 -5.715 5.768 287 HG22 VAL 41 2HG2 VAL 41 -3.549 -6.459 5.276 288 HG23 VAL 41 3HG2 VAL 41 -2.023 -7.002 4.538 289 H VAL 42 H VAL 42 -0.512 -3.694 1.746 290 HA VAL 42 HA VAL 42 -2.194 -1.480 0.893 291 HB VAL 42 HB VAL 42 0.792 -1.361 1.287 292 HG11 VAL 42 1HG1 VAL 42 -0.906 0.528 -0.380 293 HG12 VAL 42 2HG1 VAL 42 0.820 0.726 0.009 294 HG13 VAL 42 3HG1 VAL 42 0.288 -0.631 -1.012 295 HG21 VAL 42 1HG2 VAL 42 -1.317 0.678 2.037 296 HG22 VAL 42 2HG2 VAL 42 -0.839 -0.655 3.115 297 HG23 VAL 42 3HG2 VAL 42 0.363 0.558 2.613 298 H LEU 43 H LEU 43 -2.759 -1.727 -1.220 299 HA LEU 43 HA LEU 43 -1.530 -3.930 -2.637 300 HB2 LEU 43 1HB LEU 43 -3.990 -3.638 -2.460 301 HB3 LEU 43 2HB LEU 43 -3.859 -2.161 -3.394 302 HG LEU 43 HG LEU 43 -2.732 -3.669 -5.197 303 HD11 LEU 43 1HD1 LEU 43 -2.380 -5.687 -4.036 304 HD12 LEU 43 2HD1 LEU 43 -4.047 -5.718 -3.411 305 HD13 LEU 43 3HD1 LEU 43 -3.739 -6.005 -5.141 306 HD21 LEU 43 1HD2 LEU 43 -5.020 -2.529 -5.214 307 HD22 LEU 43 2HD2 LEU 43 -4.790 -3.926 -6.292 308 HD23 LEU 43 3HD2 LEU 43 -5.684 -4.118 -4.765 309 H VAL 44 H VAL 44 0.332 -3.554 -3.714 310 HA VAL 44 HA VAL 44 1.205 -0.995 -4.410 311 HB VAL 44 HB VAL 44 2.006 -3.735 -5.405 312 HG11 VAL 44 1HG1 VAL 44 3.881 -2.837 -6.430 313 HG12 VAL 44 2HG1 VAL 44 2.646 -1.609 -6.799 314 HG13 VAL 44 3HG1 VAL 44 3.812 -1.332 -5.483 315 HG21 VAL 44 1HG2 VAL 44 4.010 -2.935 -3.771 316 HG22 VAL 44 2HG2 VAL 44 2.628 -2.139 -2.981 317 HG23 VAL 44 3HG2 VAL 44 2.618 -3.902 -3.227 318 H LEU 45 H LEU 45 1.111 0.207 -6.311 319 HA LEU 45 HA LEU 45 -0.627 -0.934 -8.389 320 HB2 LEU 45 1HB LEU 45 -0.515 1.847 -7.239 321 HB3 LEU 45 2HB LEU 45 -1.223 1.514 -8.807 322 HG LEU 45 HG LEU 45 -2.158 0.009 -6.373 323 HD11 LEU 45 1HD1 LEU 45 -3.988 2.089 -6.787 324 HD12 LEU 45 2HD1 LEU 45 -2.896 1.863 -5.400 325 HD13 LEU 45 3HD1 LEU 45 -2.386 2.864 -6.780 326 HD21 LEU 45 1HD2 LEU 45 -3.033 -0.935 -8.319 327 HD22 LEU 45 2HD2 LEU 45 -4.329 0.143 -7.747 328 HD23 LEU 45 3HD2 LEU 45 -3.282 0.648 -9.095 329 H GLN 46 H GLN 46 2.196 1.127 -7.556 330 HA GLN 46 HA GLN 46 3.240 0.475 -10.173 331 HB2 GLN 46 1HB GLN 46 2.404 3.159 -9.309 332 HB3 GLN 46 2HB GLN 46 4.090 3.125 -9.784 333 HG2 GLN 46 1HG GLN 46 3.560 2.906 -11.986 334 HG3 GLN 46 2HG GLN 46 2.470 1.572 -11.664 335 HE21 GLN 46 1HE2 GLN 46 0.333 2.099 -10.774 336 HE22 GLN 46 2HE2 GLN 46 -0.478 3.533 -11.310 337 H GLN 47 H GLN 47 5.220 -0.438 -9.861 338 HA GLN 47 HA GLN 47 6.535 0.123 -7.352 339 HB2 GLN 47 1HB GLN 47 6.427 -2.130 -9.242 340 HB3 GLN 47 2HB GLN 47 8.070 -1.767 -8.752 341 HG2 GLN 47 1HG GLN 47 6.852 -1.606 -6.318 342 HG3 GLN 47 2HG GLN 47 5.760 -2.734 -7.097 343 HE21 GLN 47 1HE2 GLN 47 7.182 -4.291 -8.643 344 HE22 GLN 47 2HE2 GLN 47 8.416 -5.163 -7.797 345 H GLU 48 H GLU 48 8.105 1.663 -7.238 346 HA GLU 48 HA GLU 48 9.634 2.115 -9.681 347 HB2 GLU 48 1HB GLU 48 7.957 3.957 -9.103 348 HB3 GLU 48 2HB GLU 48 8.896 4.269 -7.656 349 HG2 GLU 48 1HG GLU 48 9.773 5.810 -9.233 350 HG3 GLU 48 2HG GLU 48 10.949 4.511 -9.229 351 H ASP 49 H ASP 49 11.729 1.506 -9.379 352 HA ASP 49 HA ASP 49 12.849 0.585 -7.197 353 HB2 ASP 49 1HB ASP 49 13.903 2.086 -9.558 354 HB3 ASP 49 2HB ASP 49 15.013 1.957 -8.208 355 H GLY 50 H GLY 50 12.610 1.541 -5.141 356 HA2 GLY 50 1HA GLY 50 13.917 3.114 -3.749 357 HA3 GLY 50 2HA GLY 50 13.452 4.367 -4.882 358 H TRP 51 H TRP 51 10.738 3.708 -5.393 359 HA TRP 51 HA TRP 51 9.521 3.741 -2.728 360 HB2 TRP 51 1HB TRP 51 9.150 5.787 -4.911 361 HB3 TRP 51 2HB TRP 51 7.968 5.537 -3.642 362 HD1 TRP 51 HD TRP 51 11.663 6.679 -4.030 363 HE1 TRP 51 1HE TRP 51 12.388 8.210 -2.007 364 HE3 TRP 51 3HE TRP 51 7.377 6.083 -1.361 365 HZ2 TRP 51 2HZ TRP 51 11.117 8.982 0.429 366 HZ3 TRP 51 3HZ TRP 51 7.199 7.259 0.830 367 HH2 TRP 51 HH TRP 51 8.981 8.669 1.732 368 H LEU 52 H LEU 52 7.549 2.617 -2.654 369 HA LEU 52 HA LEU 52 6.733 1.427 -5.214 370 HB2 LEU 52 1HB LEU 52 6.274 0.177 -2.521 371 HB3 LEU 52 2HB LEU 52 6.188 -0.564 -4.106 372 HG LEU 52 HG LEU 52 8.155 -1.311 -2.876 373 HD11 LEU 52 1HD1 LEU 52 9.924 -0.568 -4.595 374 HD12 LEU 52 2HD1 LEU 52 8.484 -1.436 -5.180 375 HD13 LEU 52 3HD1 LEU 52 8.593 0.331 -5.362 376 HD21 LEU 52 1HD2 LEU 52 8.321 1.043 -1.703 377 HD22 LEU 52 2HD2 LEU 52 9.764 0.027 -1.941 378 HD23 LEU 52 3HD2 LEU 52 9.440 1.386 -3.044 379 H TYR 53 H TYR 53 4.817 2.144 -5.959 380 HA TYR 53 HA TYR 53 3.097 3.593 -4.130 381 HB2 TYR 53 1HB TYR 53 3.803 4.273 -6.530 382 HB3 TYR 53 2HB TYR 53 2.908 2.889 -7.124 383 HD1 TYR 53 1HD TYR 53 2.278 5.779 -4.799 384 HD2 TYR 53 2HD TYR 53 0.822 3.352 -8.007 385 HE1 TYR 53 1HE TYR 53 0.164 7.187 -4.914 386 HE2 TYR 53 2HE TYR 53 -1.287 4.768 -8.111 387 HH TYR 53 HH TYR 53 -1.840 7.221 -7.472 388 H GLY 54 H GLY 54 0.939 3.049 -3.640 389 HA2 GLY 54 1HA GLY 54 -0.319 0.749 -4.794 390 HA3 GLY 54 2HA GLY 54 0.308 0.423 -3.191 391 H GLU 55 H GLU 55 -2.210 0.118 -2.979 392 HA GLU 55 HA GLU 55 -3.241 2.692 -2.081 393 HB2 GLU 55 1HB GLU 55 -4.429 2.111 -4.132 394 HB3 GLU 55 2HB GLU 55 -4.744 0.488 -3.553 395 HG2 GLU 55 1HG GLU 55 -5.705 2.390 -1.579 396 HG3 GLU 55 2HG GLU 55 -6.337 2.838 -3.151 397 H ARG 56 H ARG 56 -4.034 2.715 0.012 398 HA ARG 56 HA ARG 56 -3.531 0.437 1.566 399 HB2 ARG 56 1HB ARG 56 -3.522 3.005 2.197 400 HB3 ARG 56 2HB ARG 56 -5.237 2.784 2.480 401 HG2 ARG 56 1HG ARG 56 -4.882 1.238 4.253 402 HG3 ARG 56 2HG ARG 56 -3.252 0.863 3.731 403 HD2 ARG 56 1HD ARG 56 -3.458 2.379 5.806 404 HD3 ARG 56 2HD ARG 56 -2.381 2.944 4.544 405 HE ARG 56 HE ARG 56 -4.763 4.112 3.825 406 HH11 ARG 56 2HH2 ARG 56 -2.992 3.998 6.863 407 HH12 ARG 56 1HH2 ARG 56 -3.582 5.532 7.412 408 HH21 ARG 56 2HH1 ARG 56 -5.541 6.136 4.548 409 HH22 ARG 56 1HH1 ARG 56 -5.041 6.756 6.086 410 H LEU 57 H LEU 57 -4.868 -1.331 1.761 411 HA LEU 57 HA LEU 57 -7.485 -1.306 0.720 412 HB2 LEU 57 1HB LEU 57 -5.977 -3.290 2.423 413 HB3 LEU 57 2HB LEU 57 -7.581 -3.583 1.780 414 HG LEU 57 HG LEU 57 -6.157 -4.671 0.290 415 HD11 LEU 57 1HD1 LEU 57 -6.340 -2.061 -1.184 416 HD12 LEU 57 2HD1 LEU 57 -6.635 -3.719 -1.760 417 HD13 LEU 57 3HD1 LEU 57 -7.819 -2.923 -0.696 418 HD21 LEU 57 1HD2 LEU 57 -4.040 -4.049 -0.378 419 HD22 LEU 57 2HD2 LEU 57 -4.358 -2.312 -0.155 420 HD23 LEU 57 3HD2 LEU 57 -4.115 -3.361 1.262 421 H ARG 58 H ARG 58 -6.176 -0.064 3.614 422 HA ARG 58 HA ARG 58 -8.163 -0.748 5.406 423 HB2 ARG 58 1HB ARG 58 -5.946 0.297 5.992 424 HB3 ARG 58 2HB ARG 58 -6.487 1.811 5.296 425 HG2 ARG 58 1HG ARG 58 -7.828 2.318 7.094 426 HG3 ARG 58 2HG ARG 58 -8.375 0.665 7.287 427 HD2 ARG 58 1HD ARG 58 -6.066 0.107 8.252 428 HD3 ARG 58 2HD ARG 58 -5.710 1.823 8.228 429 HE ARG 58 HE ARG 58 -7.585 0.444 10.036 430 HH11 ARG 58 2HH2 ARG 58 -6.504 3.531 8.738 431 HH12 ARG 58 1HH2 ARG 58 -7.154 4.455 10.052 432 HH21 ARG 58 2HH1 ARG 58 -8.442 1.663 11.768 433 HH22 ARG 58 1HH1 ARG 58 -8.264 3.385 11.787 434 H ASP 59 H ASP 59 -7.656 2.445 3.712 435 HA ASP 59 HA ASP 59 -10.540 2.809 3.908 436 HB2 ASP 59 1HB ASP 59 -8.368 4.495 4.639 437 HB3 ASP 59 2HB ASP 59 -9.024 5.207 3.178 438 H GLY 60 H GLY 60 -7.668 2.594 1.859 439 HA2 GLY 60 1HA GLY 60 -7.995 1.940 -0.427 440 HA3 GLY 60 2HA GLY 60 -9.351 3.046 -0.528 441 H GLU 61 H GLU 61 -6.975 4.498 1.415 442 HA GLU 61 HA GLU 61 -6.495 6.510 -0.394 443 HB2 GLU 61 1HB GLU 61 -5.898 5.961 2.304 444 HB3 GLU 61 2HB GLU 61 -4.329 6.193 1.559 445 HG2 GLU 61 1HG GLU 61 -5.908 8.246 0.447 446 HG3 GLU 61 2HG GLU 61 -6.439 8.170 2.115 447 H THR 62 H THR 62 -5.112 6.741 -2.111 448 HA THR 62 HA THR 62 -3.079 4.636 -2.436 449 HB THR 62 HB THR 62 -4.150 6.401 -4.661 450 HG1 THR 62 1HG THR 62 -5.943 5.479 -3.341 451 HG21 THR 62 1HG2 THR 62 -3.079 3.563 -4.364 452 HG22 THR 62 2HG2 THR 62 -4.057 4.032 -5.776 453 HG23 THR 62 3HG2 THR 62 -2.507 4.847 -5.456 454 H GLY 63 H GLY 63 -1.062 5.210 -1.955 455 HA2 GLY 63 1HA GLY 63 -0.136 7.845 -2.841 456 HA3 GLY 63 2HA GLY 63 -0.010 7.459 -1.137 457 H TRP 64 H TRP 64 2.385 7.886 -1.928 458 HA TRP 64 HA TRP 64 3.517 5.470 -3.111 459 HB2 TRP 64 1HB TRP 64 4.490 8.281 -2.712 460 HB3 TRP 64 2HB TRP 64 5.635 6.978 -2.963 461 HD1 TRP 64 HD TRP 64 3.012 9.031 -4.853 462 HE1 TRP 64 1HE TRP 64 3.126 8.596 -7.454 463 HE3 TRP 64 3HE TRP 64 6.256 5.124 -4.589 464 HZ2 TRP 64 2HZ TRP 64 4.529 6.710 -9.072 465 HZ3 TRP 64 3HZ TRP 64 6.948 4.042 -6.725 466 HH2 TRP 64 HH TRP 64 6.139 4.775 -8.912 467 H PHE 65 H PHE 65 4.639 3.990 -1.873 468 HA PHE 65 HA PHE 65 5.372 4.822 0.834 469 HB2 PHE 65 1HB PHE 65 4.285 2.861 1.724 470 HB3 PHE 65 2HB PHE 65 3.138 3.456 0.541 471 HD1 PHE 65 2HD PHE 65 5.969 1.057 0.878 472 HD2 PHE 65 1HD PHE 65 2.342 2.021 -1.102 473 HE1 PHE 65 2HE PHE 65 6.010 -1.169 -0.280 474 HE2 PHE 65 1HE PHE 65 2.383 -0.205 -2.261 475 HZ PHE 65 HZ PHE 65 4.216 -1.774 -1.836 476 HA PRO 66 HA PRO 66 9.053 2.847 -0.388 477 HB2 PRO 66 1HB PRO 66 10.443 3.094 1.951 478 HB3 PRO 66 2HB PRO 66 10.336 4.375 0.760 479 HG2 PRO 66 1HG PRO 66 8.955 4.146 3.364 480 HG3 PRO 66 2HG PRO 66 9.198 5.570 2.372 481 HD2 PRO 66 1HD PRO 66 6.775 4.058 2.638 482 HD3 PRO 66 2HD PRO 66 7.053 5.411 1.559 483 H GLU 67 H GLU 67 10.180 0.883 -0.324 484 HA GLU 67 HA GLU 67 8.575 -1.159 0.712 485 HB2 GLU 67 1HB GLU 67 10.658 -2.585 0.087 486 HB3 GLU 67 2HB GLU 67 9.823 -1.739 -1.200 487 HG2 GLU 67 1HG GLU 67 11.654 -0.479 -1.675 488 HG3 GLU 67 2HG GLU 67 11.831 0.010 -0.001 489 H ASP 68 H ASP 68 11.486 0.566 1.871 490 HA ASP 68 HA ASP 68 12.398 -1.123 3.750 491 HB2 ASP 68 1HB ASP 68 12.905 1.462 3.066 492 HB3 ASP 68 2HB ASP 68 12.062 1.748 4.575 493 H PHE 69 H PHE 69 9.367 0.699 3.649 494 HA PHE 69 HA PHE 69 8.830 -0.017 6.441 495 HB2 PHE 69 1HB PHE 69 7.607 1.996 4.459 496 HB3 PHE 69 2HB PHE 69 6.979 1.747 6.076 497 HD1 PHE 69 2HD PHE 69 10.096 2.712 4.284 498 HD2 PHE 69 1HD PHE 69 7.810 3.007 7.847 499 HE1 PHE 69 2HE PHE 69 11.701 4.427 5.172 500 HE2 PHE 69 1HE PHE 69 9.414 4.721 8.734 501 HZ PHE 69 HZ PHE 69 11.340 5.411 7.386 502 H ALA 70 H ALA 70 8.723 -2.098 4.522 503 HA ALA 70 HA ALA 70 6.185 -3.114 4.975 504 HB1 ALA 70 1HB ALA 70 4.911 -2.595 3.162 505 HB2 ALA 70 2HB ALA 70 5.988 -1.182 3.047 506 HB3 ALA 70 3HB ALA 70 6.301 -2.624 2.051 507 H ARG 71 H ARG 71 5.900 -5.253 3.831 508 HA ARG 71 HA ARG 71 8.433 -6.175 2.754 509 HB2 ARG 71 1HB ARG 71 8.063 -8.351 4.045 510 HB3 ARG 71 2HB ARG 71 8.466 -6.968 5.042 511 HG2 ARG 71 1HG ARG 71 6.187 -6.679 5.761 512 HG3 ARG 71 2HG ARG 71 5.568 -7.717 4.493 513 HD2 ARG 71 1HD ARG 71 7.503 -8.832 6.552 514 HD3 ARG 71 2HD ARG 71 5.803 -8.672 6.946 515 HE ARG 71 HE ARG 71 6.280 -10.004 4.376 516 HH11 ARG 71 2HH2 ARG 71 5.950 -10.459 7.850 517 HH12 ARG 71 1HH2 ARG 71 5.509 -12.128 7.719 518 HH21 ARG 71 2HH1 ARG 71 5.699 -12.207 4.202 519 HH22 ARG 71 1HH1 ARG 71 5.365 -13.130 5.630 520 H PHE 72 H PHE 72 8.204 -7.549 0.960 521 HA PHE 72 HA PHE 72 5.619 -7.725 -0.187 522 HB2 PHE 72 1HB PHE 72 8.485 -8.453 -0.749 523 HB3 PHE 72 2HB PHE 72 7.312 -9.454 -1.582 524 HD1 PHE 72 1HD PHE 72 8.570 -6.018 -1.192 525 HD2 PHE 72 2HD PHE 72 6.014 -8.588 -3.398 526 HE1 PHE 72 1HE PHE 72 8.314 -4.250 -2.955 527 HE2 PHE 72 2HE PHE 72 5.757 -6.820 -5.161 528 HZ PHE 72 HZ PHE 72 6.910 -4.672 -4.919 529 H ILE 73 H ILE 73 4.151 -9.027 0.901 530 HA ILE 73 HA ILE 73 4.780 -11.351 2.256 531 HB ILE 73 HB ILE 73 2.199 -10.574 0.891 532 HG12 ILE 73 1HG1 ILE 73 3.446 -9.804 3.517 533 HG13 ILE 73 2HG1 ILE 73 2.685 -8.787 2.310 534 HG21 ILE 73 1HG2 ILE 73 2.462 -12.360 3.303 535 HG22 ILE 73 2HG2 ILE 73 1.080 -12.145 2.203 536 HG23 ILE 73 3HG2 ILE 73 2.532 -13.012 1.649 537 HD11 ILE 73 1HD1 ILE 73 1.229 -9.081 4.305 538 HD12 ILE 73 2HD1 ILE 73 0.468 -9.758 2.846 539 HD13 ILE 73 3HD1 ILE 73 1.226 -10.841 4.037 540 H SER 74 H SER 74 3.112 -11.187 -0.972 541 HA SER 74 HA SER 74 4.865 -13.252 -1.905 542 HB2 SER 74 1HB SER 74 2.108 -13.797 -1.012 543 HB3 SER 74 2HB SER 74 2.375 -14.286 -2.674 544 HG SER 74 HG SER 74 3.738 -15.850 -2.050 545 H GLY 75 H GLY 75 5.532 -12.231 -3.769 546 HA2 GLY 75 1HA GLY 75 3.414 -11.184 -5.548 547 HA3 GLY 75 2HA GLY 75 4.888 -10.290 -5.233 548 HA PRO 76 HA PRO 76 5.823 -12.850 -8.820 549 HB2 PRO 76 1HB PRO 76 6.995 -10.896 -10.330 550 HB3 PRO 76 2HB PRO 76 5.295 -11.304 -10.443 551 HG2 PRO 76 1HG PRO 76 6.557 -8.961 -9.157 552 HG3 PRO 76 2HG PRO 76 4.890 -9.176 -9.651 553 HD2 PRO 76 1HD PRO 76 5.921 -9.327 -6.978 554 HD3 PRO 76 2HD PRO 76 4.277 -9.656 -7.487 555 H SER 77 H SER 77 7.973 -13.216 -10.063 556 HA SER 77 HA SER 77 10.095 -12.669 -8.148 557 HB2 SER 77 1HB SER 77 10.917 -14.919 -8.261 558 HB3 SER 77 2HB SER 77 9.198 -15.045 -7.949 559 HG SER 77 HG SER 77 10.572 -15.438 -10.462 560 H SER 78 H SER 78 12.294 -12.699 -9.142 561 HA SER 78 HA SER 78 12.168 -12.457 -12.041 562 HB2 SER 78 1HB SER 78 13.544 -10.581 -10.074 563 HB3 SER 78 2HB SER 78 13.905 -10.588 -11.789 564 HG SER 78 HG SER 78 11.855 -9.354 -10.503 565 H GLY 79 H GLY 79 13.846 -13.504 -13.129 566 HA2 GLY 79 1HA GLY 79 16.201 -14.322 -11.576 567 HA3 GLY 79 2HA GLY 79 15.220 -15.560 -12.335 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -17.824 19.033 6.807 2 HA2 GLY 1 1HA GLY 1 -17.968 16.126 6.549 3 HA3 GLY 1 2HA GLY 1 -19.434 17.030 6.226 4 H SER 2 H SER 2 -16.654 15.739 4.822 5 HA SER 2 HA SER 2 -17.235 17.049 2.380 6 HB2 SER 2 1HB SER 2 -14.661 17.670 3.864 7 HB3 SER 2 2HB SER 2 -14.720 17.736 2.113 8 HG SER 2 HG SER 2 -15.204 19.782 3.400 9 H SER 3 H SER 3 -15.961 16.043 0.551 10 HA SER 3 HA SER 3 -14.300 13.842 1.183 11 HB2 SER 3 1HB SER 3 -15.823 12.167 -0.042 12 HB3 SER 3 2HB SER 3 -16.280 12.595 1.595 13 HG SER 3 HG SER 3 -18.181 12.887 0.562 14 H GLY 4 H GLY 4 -13.181 13.062 -0.729 15 HA2 GLY 4 1HA GLY 4 -13.948 13.842 -3.353 16 HA3 GLY 4 2HA GLY 4 -12.724 14.925 -2.721 17 H SER 5 H SER 5 -13.007 12.362 -4.690 18 HA SER 5 HA SER 5 -10.304 11.628 -4.308 19 HB2 SER 5 1HB SER 5 -12.305 10.024 -3.005 20 HB3 SER 5 2HB SER 5 -11.671 9.087 -4.342 21 HG SER 5 HG SER 5 -10.543 9.323 -1.994 22 H SER 6 H SER 6 -9.437 10.758 -6.252 23 HA SER 6 HA SER 6 -11.171 9.697 -8.217 24 HB2 SER 6 1HB SER 6 -10.698 11.433 -9.959 25 HB3 SER 6 2HB SER 6 -11.684 12.038 -8.642 26 HG SER 6 HG SER 6 -9.152 12.481 -7.890 27 H GLY 7 H GLY 7 -9.950 8.681 -9.954 28 HA2 GLY 7 1HA GLY 7 -7.055 8.997 -9.947 29 HA3 GLY 7 2HA GLY 7 -7.661 7.441 -9.416 30 H TRP 8 H TRP 8 -7.095 6.119 -11.143 31 HA TRP 8 HA TRP 8 -7.675 7.021 -13.832 32 HB2 TRP 8 1HB TRP 8 -6.091 4.853 -12.572 33 HB3 TRP 8 2HB TRP 8 -6.789 4.500 -14.140 34 HD1 TRP 8 HD TRP 8 -5.734 5.801 -16.260 35 HE1 TRP 8 1HE TRP 8 -3.571 7.252 -16.689 36 HE3 TRP 8 3HE TRP 8 -4.625 6.550 -11.354 37 HZ2 TRP 8 2HZ TRP 8 -1.682 8.521 -14.967 38 HZ3 TRP 8 3HZ TRP 8 -2.605 7.906 -10.814 39 HH2 TRP 8 HH TRP 8 -1.156 8.877 -12.527 40 H GLN 9 H GLN 9 -9.946 7.090 -14.009 41 HA GLN 9 HA GLN 9 -11.592 5.137 -12.911 42 HB2 GLN 9 1HB GLN 9 -12.081 7.567 -13.855 43 HB3 GLN 9 2HB GLN 9 -12.383 6.724 -15.360 44 HG2 GLN 9 1HG GLN 9 -13.940 5.160 -13.965 45 HG3 GLN 9 2HG GLN 9 -13.825 6.371 -12.703 46 HE21 GLN 9 1HE2 GLN 9 -14.642 5.859 -16.104 47 HE22 GLN 9 2HE2 GLN 9 -15.815 7.124 -16.253 48 H GLY 10 H GLY 10 -10.562 5.699 -16.358 49 HA2 GLY 10 1HA GLY 10 -11.735 3.356 -17.378 50 HA3 GLY 10 2HA GLY 10 -10.468 4.311 -18.123 51 H LEU 11 H LEU 11 -8.187 4.057 -16.994 52 HA LEU 11 HA LEU 11 -7.482 1.357 -17.231 53 HB2 LEU 11 1HB LEU 11 -6.089 3.417 -17.679 54 HB3 LEU 11 2HB LEU 11 -5.870 3.558 -15.946 55 HG LEU 11 HG LEU 11 -5.073 1.008 -16.244 56 HD11 LEU 11 1HD1 LEU 11 -4.342 2.310 -18.881 57 HD12 LEU 11 2HD1 LEU 11 -3.765 0.735 -18.284 58 HD13 LEU 11 3HD1 LEU 11 -5.489 0.968 -18.658 59 HD21 LEU 11 1HD2 LEU 11 -2.729 1.920 -16.412 60 HD22 LEU 11 2HD2 LEU 11 -3.452 3.533 -16.627 61 HD23 LEU 11 3HD2 LEU 11 -3.738 2.622 -15.124 62 H SER 12 H SER 12 -8.353 -0.130 -15.849 63 HA SER 12 HA SER 12 -7.402 -0.134 -13.218 64 HB2 SER 12 1HB SER 12 -9.549 1.494 -13.337 65 HB3 SER 12 2HB SER 12 -10.409 -0.028 -13.214 66 HG SER 12 HG SER 12 -8.461 1.043 -11.362 67 H SER 13 H SER 13 -6.686 -2.187 -14.183 68 HA SER 13 HA SER 13 -8.731 -4.024 -14.965 69 HB2 SER 13 1HB SER 13 -5.819 -3.799 -15.207 70 HB3 SER 13 2HB SER 13 -6.285 -5.416 -14.719 71 HG SER 13 HG SER 13 -7.888 -4.350 -16.763 72 H LYS 14 H LYS 14 -6.045 -4.046 -12.497 73 HA LYS 14 HA LYS 14 -5.947 -4.857 -10.444 74 HB2 LYS 14 1HB LYS 14 -8.118 -3.635 -10.152 75 HB3 LYS 14 2HB LYS 14 -8.966 -5.122 -10.525 76 HG2 LYS 14 1HG LYS 14 -8.796 -5.688 -8.336 77 HG3 LYS 14 2HG LYS 14 -7.072 -5.886 -8.574 78 HD2 LYS 14 1HD LYS 14 -6.554 -3.857 -7.590 79 HD3 LYS 14 2HD LYS 14 -7.990 -3.064 -8.207 80 HE2 LYS 14 1HE LYS 14 -8.926 -5.067 -6.400 81 HE3 LYS 14 2HE LYS 14 -7.562 -4.308 -5.604 82 HZ1 LYS 14 1HZ LYS 14 -9.465 -2.562 -6.906 83 HZ2 LYS 14 2HZ LYS 14 -9.947 -3.288 -5.524 84 HZ3 LYS 14 3HZ LYS 14 -8.620 -2.335 -5.527 85 H GLY 15 H GLY 15 -5.637 -6.898 -9.433 86 HA2 GLY 15 1HA GLY 15 -6.922 -9.262 -10.300 87 HA3 GLY 15 2HA GLY 15 -5.399 -9.078 -11.147 88 H ASP 16 H ASP 16 -3.641 -9.987 -10.180 89 HA ASP 16 HA ASP 16 -3.873 -10.481 -7.328 90 HB2 ASP 16 1HB ASP 16 -2.403 -11.795 -9.613 91 HB3 ASP 16 2HB ASP 16 -1.711 -11.936 -8.010 92 H LEU 17 H LEU 17 -3.267 -7.828 -7.987 93 HA LEU 17 HA LEU 17 -0.650 -7.184 -8.511 94 HB2 LEU 17 1HB LEU 17 -2.884 -5.857 -7.025 95 HB3 LEU 17 2HB LEU 17 -1.286 -5.137 -6.999 96 HG LEU 17 HG LEU 17 -3.036 -5.649 -9.414 97 HD11 LEU 17 1HD1 LEU 17 -2.727 -3.436 -7.652 98 HD12 LEU 17 2HD1 LEU 17 -2.039 -2.982 -9.230 99 HD13 LEU 17 3HD1 LEU 17 -3.719 -3.561 -9.125 100 HD21 LEU 17 1HD2 LEU 17 -1.158 -5.957 -10.583 101 HD22 LEU 17 2HD2 LEU 17 -0.876 -4.216 -10.340 102 HD23 LEU 17 3HD2 LEU 17 -0.122 -5.401 -9.246 103 HA PRO 18 HA PRO 18 1.568 -8.238 -4.964 104 HB2 PRO 18 1HB PRO 18 3.554 -6.361 -4.915 105 HB3 PRO 18 2HB PRO 18 3.582 -7.760 -5.971 106 HG2 PRO 18 1HG PRO 18 3.006 -4.940 -6.646 107 HG3 PRO 18 2HG PRO 18 3.454 -6.255 -7.714 108 HD2 PRO 18 1HD PRO 18 0.831 -5.150 -7.358 109 HD3 PRO 18 2HD PRO 18 1.259 -6.538 -8.337 110 H GLN 19 H GLN 19 1.663 -8.074 -2.753 111 HA GLN 19 HA GLN 19 0.720 -5.484 -1.808 112 HB2 GLN 19 1HB GLN 19 -0.150 -8.204 -0.735 113 HB3 GLN 19 2HB GLN 19 -0.652 -6.650 -0.099 114 HG2 GLN 19 1HG GLN 19 -1.488 -6.149 -2.532 115 HG3 GLN 19 2HG GLN 19 -1.323 -7.873 -2.801 116 HE21 GLN 19 1HE2 GLN 19 -2.557 -5.650 -0.301 117 HE22 GLN 19 2HE2 GLN 19 -4.042 -6.483 0.019 118 H VAL 20 H VAL 20 1.531 -4.824 0.284 119 HA VAL 20 HA VAL 20 3.587 -6.570 1.411 120 HB VAL 20 HB VAL 20 5.136 -4.704 1.570 121 HG11 VAL 20 1HG1 VAL 20 4.485 -6.136 -0.748 122 HG12 VAL 20 2HG1 VAL 20 4.709 -4.457 -1.295 123 HG13 VAL 20 3HG1 VAL 20 6.009 -5.284 -0.404 124 HG21 VAL 20 1HG2 VAL 20 3.506 -3.033 -0.310 125 HG22 VAL 20 2HG2 VAL 20 3.109 -3.008 1.425 126 HG23 VAL 20 3HG2 VAL 20 4.739 -2.546 0.878 127 H GLU 21 H GLU 21 3.769 -6.435 3.663 128 HA GLU 21 HA GLU 21 1.596 -4.963 4.874 129 HB2 GLU 21 1HB GLU 21 1.824 -7.372 5.399 130 HB3 GLU 21 2HB GLU 21 3.449 -7.109 6.001 131 HG2 GLU 21 1HG GLU 21 2.602 -5.664 7.808 132 HG3 GLU 21 2HG GLU 21 0.976 -5.740 7.159 133 H ILE 22 H ILE 22 1.951 -3.014 5.841 134 HA ILE 22 HA ILE 22 4.565 -1.973 6.035 135 HB ILE 22 HB ILE 22 1.978 -0.969 7.226 136 HG12 ILE 22 1HG1 ILE 22 1.877 -1.394 4.769 137 HG13 ILE 22 2HG1 ILE 22 1.639 0.282 5.223 138 HG21 ILE 22 1HG2 ILE 22 3.111 0.758 8.032 139 HG22 ILE 22 2HG2 ILE 22 4.624 -0.056 7.568 140 HG23 ILE 22 3HG2 ILE 22 3.841 1.076 6.440 141 HD11 ILE 22 1HD1 ILE 22 3.264 -0.260 3.243 142 HD12 ILE 22 2HD1 ILE 22 3.778 0.941 4.452 143 HD13 ILE 22 3HD1 ILE 22 4.415 -0.720 4.521 144 H THR 23 H THR 23 6.046 -2.785 7.430 145 HA THR 23 HA THR 23 5.373 -4.154 9.782 146 HB THR 23 HB THR 23 7.797 -4.138 10.122 147 HG1 THR 23 1HG THR 23 7.754 -2.074 8.042 148 HG21 THR 23 1HG2 THR 23 8.163 -5.375 8.238 149 HG22 THR 23 2HG2 THR 23 6.657 -4.730 7.543 150 HG23 THR 23 3HG2 THR 23 8.199 -3.887 7.263 151 H LYS 24 H LYS 24 6.582 -0.770 9.300 152 HA LYS 24 HA LYS 24 5.443 -0.202 11.948 153 HB2 LYS 24 1HB LYS 24 7.249 1.324 12.386 154 HB3 LYS 24 2HB LYS 24 7.919 -0.246 11.988 155 HG2 LYS 24 1HG LYS 24 7.656 1.111 9.500 156 HG3 LYS 24 2HG LYS 24 8.280 2.310 10.616 157 HD2 LYS 24 1HD LYS 24 10.249 1.091 11.052 158 HD3 LYS 24 2HD LYS 24 9.521 -0.446 10.628 159 HE2 LYS 24 1HE LYS 24 10.314 -0.259 8.512 160 HE3 LYS 24 2HE LYS 24 9.404 1.221 8.284 161 HZ1 LYS 24 1HZ LYS 24 11.752 1.556 9.868 162 HZ2 LYS 24 2HZ LYS 24 12.066 1.061 8.344 163 HZ3 LYS 24 3HZ LYS 24 11.218 2.434 8.599 164 H ALA 25 H ALA 25 4.561 1.977 12.211 165 HA ALA 25 HA ALA 25 2.980 2.728 10.045 166 HB1 ALA 25 1HB ALA 25 2.036 4.161 11.559 167 HB2 ALA 25 2HB ALA 25 2.969 3.180 12.715 168 HB3 ALA 25 3HB ALA 25 3.610 4.742 12.152 169 H PHE 26 H PHE 26 3.250 4.157 8.364 170 HA PHE 26 HA PHE 26 5.882 5.436 8.236 171 HB2 PHE 26 1HB PHE 26 5.367 3.828 6.427 172 HB3 PHE 26 2HB PHE 26 3.772 4.518 6.202 173 HD1 PHE 26 2HD PHE 26 7.006 6.322 6.527 174 HD2 PHE 26 1HD PHE 26 3.808 5.206 3.972 175 HE1 PHE 26 2HE PHE 26 7.911 7.831 4.737 176 HE2 PHE 26 1HE PHE 26 4.712 6.715 2.181 177 HZ PHE 26 HZ PHE 26 6.753 8.010 2.585 178 H PHE 27 H PHE 27 6.079 7.650 7.733 179 HA PHE 27 HA PHE 27 3.543 9.117 7.899 180 HB2 PHE 27 1HB PHE 27 6.451 9.723 8.692 181 HB3 PHE 27 2HB PHE 27 5.207 10.958 8.710 182 HD1 PHE 27 1HD PHE 27 6.389 7.874 10.313 183 HD2 PHE 27 2HD PHE 27 3.533 11.009 10.440 184 HE1 PHE 27 1HE PHE 27 5.754 7.201 12.646 185 HE2 PHE 27 2HE PHE 27 2.898 10.336 12.773 186 HZ PHE 27 HZ PHE 27 4.016 8.440 13.849 187 H ALA 28 H ALA 28 2.907 10.007 5.997 188 HA ALA 28 HA ALA 28 4.641 10.155 3.780 189 HB1 ALA 28 1HB ALA 28 2.717 11.244 2.702 190 HB2 ALA 28 2HB ALA 28 2.186 9.834 3.649 191 HB3 ALA 28 3HB ALA 28 1.944 11.477 4.288 192 H LYS 29 H LYS 29 5.966 11.774 3.056 193 HA LYS 29 HA LYS 29 5.992 14.205 4.695 194 HB2 LYS 29 1HB LYS 29 8.299 14.389 4.267 195 HB3 LYS 29 2HB LYS 29 8.029 12.697 4.634 196 HG2 LYS 29 1HG LYS 29 9.112 12.252 2.681 197 HG3 LYS 29 2HG LYS 29 7.635 12.752 1.879 198 HD2 LYS 29 1HD LYS 29 8.756 14.478 0.932 199 HD3 LYS 29 2HD LYS 29 9.013 15.165 2.524 200 HE2 LYS 29 1HE LYS 29 10.918 13.102 2.401 201 HE3 LYS 29 2HE LYS 29 10.916 13.742 0.770 202 HZ1 LYS 29 1HZ LYS 29 11.475 15.162 3.259 203 HZ2 LYS 29 2HZ LYS 29 12.391 15.068 1.910 204 HZ3 LYS 29 3HZ LYS 29 11.039 15.984 1.917 205 H GLN 30 H GLN 30 5.749 12.861 1.400 206 HA GLN 30 HA GLN 30 5.587 15.564 0.369 207 HB2 GLN 30 1HB GLN 30 6.185 12.871 -0.787 208 HB3 GLN 30 2HB GLN 30 5.330 13.982 -1.839 209 HG2 GLN 30 1HG GLN 30 7.535 15.320 -0.420 210 HG3 GLN 30 2HG GLN 30 8.106 13.943 -1.342 211 HE21 GLN 30 1HE2 GLN 30 8.189 14.009 -3.505 212 HE22 GLN 30 2HE2 GLN 30 7.735 15.361 -4.488 213 H ALA 31 H ALA 31 3.880 15.302 -1.799 214 HA ALA 31 HA ALA 31 1.337 14.969 -0.426 215 HB1 ALA 31 1HB ALA 31 1.854 17.073 -1.641 216 HB2 ALA 31 2HB ALA 31 2.024 16.145 -3.150 217 HB3 ALA 31 3HB ALA 31 0.446 16.233 -2.332 218 H ASP 32 H ASP 32 3.491 13.108 -2.246 219 HA ASP 32 HA ASP 32 1.353 11.705 -3.605 220 HB2 ASP 32 1HB ASP 32 4.094 12.269 -4.200 221 HB3 ASP 32 2HB ASP 32 4.001 10.537 -3.955 222 H GLU 33 H GLU 33 3.452 11.647 -0.809 223 HA GLU 33 HA GLU 33 3.458 8.823 -0.510 224 HB2 GLU 33 1HB GLU 33 4.281 11.136 1.283 225 HB3 GLU 33 2HB GLU 33 4.350 9.474 1.835 226 HG2 GLU 33 1HG GLU 33 5.970 8.864 0.174 227 HG3 GLU 33 2HG GLU 33 5.659 10.299 -0.783 228 H VAL 34 H VAL 34 2.524 7.741 1.499 229 HA VAL 34 HA VAL 34 0.130 9.103 2.472 230 HB VAL 34 HB VAL 34 -0.662 7.826 0.616 231 HG11 VAL 34 1HG1 VAL 34 0.097 5.811 -0.053 232 HG12 VAL 34 2HG1 VAL 34 1.478 6.169 1.012 233 HG13 VAL 34 3HG1 VAL 34 0.136 5.160 1.603 234 HG21 VAL 34 1HG2 VAL 34 -1.677 5.809 2.307 235 HG22 VAL 34 2HG2 VAL 34 -1.399 7.228 3.346 236 HG23 VAL 34 3HG2 VAL 34 -2.428 7.371 1.901 237 H THR 35 H THR 35 -0.294 8.706 4.632 238 HA THR 35 HA THR 35 1.800 7.388 6.090 239 HB THR 35 HB THR 35 -0.828 8.722 6.933 240 HG1 THR 35 1HG THR 35 0.740 10.106 5.845 241 HG21 THR 35 1HG2 THR 35 1.590 8.673 8.695 242 HG22 THR 35 2HG2 THR 35 -0.131 8.567 9.137 243 HG23 THR 35 3HG2 THR 35 0.728 7.123 8.548 244 H LEU 36 H LEU 36 1.846 5.405 7.008 245 HA LEU 36 HA LEU 36 -0.646 3.864 6.854 246 HB2 LEU 36 1HB LEU 36 2.066 2.674 6.325 247 HB3 LEU 36 2HB LEU 36 0.487 1.963 6.052 248 HG LEU 36 HG LEU 36 1.250 4.445 4.546 249 HD11 LEU 36 1HD1 LEU 36 3.170 2.841 4.388 250 HD12 LEU 36 2HD1 LEU 36 2.054 1.669 3.647 251 HD13 LEU 36 3HD1 LEU 36 2.382 3.220 2.837 252 HD21 LEU 36 1HD2 LEU 36 -0.641 2.140 4.168 253 HD22 LEU 36 2HD2 LEU 36 -0.959 3.891 4.127 254 HD23 LEU 36 3HD2 LEU 36 -0.103 3.109 2.776 255 H GLN 37 H GLN 37 -0.711 2.030 8.427 256 HA GLN 37 HA GLN 37 0.728 2.849 10.819 257 HB2 GLN 37 1HB GLN 37 -1.986 1.710 10.295 258 HB3 GLN 37 2HB GLN 37 -1.188 1.135 11.745 259 HG2 GLN 37 1HG GLN 37 -1.752 3.057 12.801 260 HG3 GLN 37 2HG GLN 37 -0.746 3.955 11.682 261 HE21 GLN 37 1HE2 GLN 37 -1.640 5.274 10.254 262 HE22 GLN 37 2HE2 GLN 37 -3.333 5.441 9.929 263 H GLN 38 H GLN 38 0.979 0.801 12.423 264 HA GLN 38 HA GLN 38 2.757 -0.902 11.062 265 HB2 GLN 38 1HB GLN 38 3.182 -0.220 13.371 266 HB3 GLN 38 2HB GLN 38 1.673 -0.931 13.911 267 HG2 GLN 38 1HG GLN 38 3.209 -2.938 12.472 268 HG3 GLN 38 2HG GLN 38 4.229 -2.202 13.692 269 HE21 GLN 38 1HE2 GLN 38 4.176 -4.306 14.674 270 HE22 GLN 38 2HE2 GLN 38 2.872 -4.763 15.718 271 H ALA 39 H ALA 39 2.461 -2.956 10.236 272 HA ALA 39 HA ALA 39 1.464 -4.849 9.666 273 HB1 ALA 39 1HB ALA 39 -0.692 -5.294 11.355 274 HB2 ALA 39 2HB ALA 39 0.982 -5.821 11.650 275 HB3 ALA 39 3HB ALA 39 0.393 -4.295 12.352 276 H ASP 40 H ASP 40 0.862 -2.628 8.183 277 HA ASP 40 HA ASP 40 -2.027 -2.803 7.859 278 HB2 ASP 40 1HB ASP 40 0.013 -0.667 7.127 279 HB3 ASP 40 2HB ASP 40 -1.584 -0.675 6.406 280 H VAL 41 H VAL 41 -2.835 -3.030 5.606 281 HA VAL 41 HA VAL 41 -0.825 -4.261 3.862 282 HB VAL 41 HB VAL 41 -3.837 -4.535 3.872 283 HG11 VAL 41 1HG1 VAL 41 -3.097 -5.005 1.682 284 HG12 VAL 41 2HG1 VAL 41 -1.642 -5.851 2.261 285 HG13 VAL 41 3HG1 VAL 41 -3.245 -6.596 2.465 286 HG21 VAL 41 1HG2 VAL 41 -3.428 -6.789 4.814 287 HG22 VAL 41 2HG2 VAL 41 -1.699 -6.395 4.965 288 HG23 VAL 41 3HG2 VAL 41 -2.904 -5.488 5.910 289 H VAL 42 H VAL 42 -0.676 -3.638 1.659 290 HA VAL 42 HA VAL 42 -2.353 -1.428 0.805 291 HB VAL 42 HB VAL 42 0.637 -1.281 1.172 292 HG11 VAL 42 1HG1 VAL 42 0.673 0.756 -0.135 293 HG12 VAL 42 2HG1 VAL 42 0.020 -0.565 -1.134 294 HG13 VAL 42 3HG1 VAL 42 -1.079 0.645 -0.430 295 HG21 VAL 42 1HG2 VAL 42 -0.392 1.094 2.010 296 HG22 VAL 42 2HG2 VAL 42 -1.738 -0.004 2.395 297 HG23 VAL 42 3HG2 VAL 42 -0.120 -0.310 3.069 298 H LEU 43 H LEU 43 -2.897 -1.665 -1.319 299 HA LEU 43 HA LEU 43 -1.687 -3.895 -2.710 300 HB2 LEU 43 1HB LEU 43 -4.145 -3.565 -2.550 301 HB3 LEU 43 2HB LEU 43 -3.986 -2.103 -3.503 302 HG LEU 43 HG LEU 43 -2.784 -3.786 -5.201 303 HD11 LEU 43 1HD1 LEU 43 -2.857 -5.798 -4.000 304 HD12 LEU 43 2HD1 LEU 43 -4.541 -5.537 -3.484 305 HD13 LEU 43 3HD1 LEU 43 -4.181 -5.929 -5.183 306 HD21 LEU 43 1HD2 LEU 43 -4.759 -2.321 -5.603 307 HD22 LEU 43 2HD2 LEU 43 -4.837 -3.890 -6.439 308 HD23 LEU 43 3HD2 LEU 43 -5.799 -3.617 -4.966 309 H VAL 44 H VAL 44 0.188 -3.551 -3.775 310 HA VAL 44 HA VAL 44 1.122 -1.022 -4.471 311 HB VAL 44 HB VAL 44 1.830 -3.773 -5.507 312 HG11 VAL 44 1HG1 VAL 44 2.621 -1.278 -6.539 313 HG12 VAL 44 2HG1 VAL 44 3.994 -1.848 -5.560 314 HG13 VAL 44 3HG1 VAL 44 3.350 -2.868 -6.868 315 HG21 VAL 44 1HG2 VAL 44 2.597 -2.185 -3.096 316 HG22 VAL 44 2HG2 VAL 44 2.376 -3.940 -3.292 317 HG23 VAL 44 3HG2 VAL 44 3.860 -3.159 -3.887 318 H LEU 45 H LEU 45 1.070 0.195 -6.369 319 HA LEU 45 HA LEU 45 -0.705 -0.872 -8.453 320 HB2 LEU 45 1HB LEU 45 -0.566 1.879 -7.237 321 HB3 LEU 45 2HB LEU 45 -1.264 1.598 -8.820 322 HG LEU 45 HG LEU 45 -2.250 -0.004 -6.480 323 HD11 LEU 45 1HD1 LEU 45 -2.899 1.798 -5.357 324 HD12 LEU 45 2HD1 LEU 45 -2.375 2.884 -6.667 325 HD13 LEU 45 3HD1 LEU 45 -4.002 2.163 -6.705 326 HD21 LEU 45 1HD2 LEU 45 -2.869 -0.115 -9.098 327 HD22 LEU 45 2HD2 LEU 45 -4.014 -0.515 -7.795 328 HD23 LEU 45 3HD2 LEU 45 -4.060 1.093 -8.557 329 H GLN 46 H GLN 46 2.130 1.161 -7.586 330 HA GLN 46 HA GLN 46 3.171 0.542 -10.213 331 HB2 GLN 46 1HB GLN 46 2.401 3.231 -9.264 332 HB3 GLN 46 2HB GLN 46 4.060 3.159 -9.821 333 HG2 GLN 46 1HG GLN 46 3.412 3.015 -11.995 334 HG3 GLN 46 2HG GLN 46 2.333 1.677 -11.651 335 HE21 GLN 46 1HE2 GLN 46 0.328 2.353 -10.339 336 HE22 GLN 46 2HE2 GLN 46 -0.531 3.745 -10.909 337 H GLN 47 H GLN 47 5.159 -0.370 -9.941 338 HA GLN 47 HA GLN 47 6.492 0.167 -7.426 339 HB2 GLN 47 1HB GLN 47 6.509 -2.076 -9.419 340 HB3 GLN 47 2HB GLN 47 7.994 -1.799 -8.530 341 HG2 GLN 47 1HG GLN 47 6.505 -1.768 -6.391 342 HG3 GLN 47 2HG GLN 47 5.239 -2.436 -7.402 343 HE21 GLN 47 1HE2 GLN 47 8.744 -2.890 -6.917 344 HE22 GLN 47 2HE2 GLN 47 8.729 -4.619 -6.819 345 H GLU 48 H GLU 48 8.019 1.754 -7.403 346 HA GLU 48 HA GLU 48 9.580 2.056 -9.850 347 HB2 GLU 48 1HB GLU 48 7.844 3.940 -8.980 348 HB3 GLU 48 2HB GLU 48 9.229 4.404 -8.012 349 HG2 GLU 48 1HG GLU 48 10.535 4.158 -10.338 350 HG3 GLU 48 2HG GLU 48 8.937 4.385 -11.020 351 H ASP 49 H ASP 49 11.679 1.469 -9.532 352 HA ASP 49 HA ASP 49 12.785 0.602 -7.317 353 HB2 ASP 49 1HB ASP 49 13.714 1.206 -9.818 354 HB3 ASP 49 2HB ASP 49 14.565 2.430 -8.896 355 H GLY 50 H GLY 50 12.588 1.612 -5.287 356 HA2 GLY 50 1HA GLY 50 13.957 3.270 -4.008 357 HA3 GLY 50 2HA GLY 50 13.338 4.469 -5.126 358 H TRP 51 H TRP 51 10.635 3.515 -5.423 359 HA TRP 51 HA TRP 51 9.593 3.500 -2.699 360 HB2 TRP 51 1HB TRP 51 9.089 5.648 -4.745 361 HB3 TRP 51 2HB TRP 51 7.904 5.268 -3.510 362 HD1 TRP 51 HD TRP 51 11.661 6.345 -3.646 363 HE1 TRP 51 1HE TRP 51 12.266 7.848 -1.563 364 HE3 TRP 51 3HE TRP 51 7.123 5.955 -1.384 365 HZ2 TRP 51 2HZ TRP 51 10.812 8.687 0.745 366 HZ3 TRP 51 3HZ TRP 51 6.799 7.147 0.782 367 HH2 TRP 51 HH TRP 51 8.553 8.477 1.846 368 H LEU 52 H LEU 52 7.453 2.561 -2.604 369 HA LEU 52 HA LEU 52 6.664 1.281 -5.130 370 HB2 LEU 52 1HB LEU 52 6.137 0.098 -2.423 371 HB3 LEU 52 2HB LEU 52 6.107 -0.678 -3.995 372 HG LEU 52 HG LEU 52 8.026 -1.395 -2.663 373 HD11 LEU 52 1HD1 LEU 52 9.856 -0.639 -4.362 374 HD12 LEU 52 2HD1 LEU 52 8.489 -1.638 -4.912 375 HD13 LEU 52 3HD1 LEU 52 8.489 0.116 -5.216 376 HD21 LEU 52 1HD2 LEU 52 9.568 -0.039 -1.680 377 HD22 LEU 52 2HD2 LEU 52 9.377 1.254 -2.888 378 HD23 LEU 52 3HD2 LEU 52 8.157 1.043 -1.610 379 H TYR 53 H TYR 53 4.792 2.071 -5.910 380 HA TYR 53 HA TYR 53 3.064 3.541 -4.103 381 HB2 TYR 53 1HB TYR 53 3.840 4.235 -6.478 382 HB3 TYR 53 2HB TYR 53 2.929 2.878 -7.111 383 HD1 TYR 53 2HD TYR 53 2.341 5.795 -4.809 384 HD2 TYR 53 1HD TYR 53 0.843 3.357 -7.990 385 HE1 TYR 53 2HE TYR 53 0.262 7.250 -4.954 386 HE2 TYR 53 1HE TYR 53 -1.232 4.821 -8.124 387 HH TYR 53 HH TYR 53 -2.048 7.015 -5.705 388 H GLY 54 H GLY 54 0.891 3.032 -3.659 389 HA2 GLY 54 1HA GLY 54 -0.427 0.817 -4.884 390 HA3 GLY 54 2HA GLY 54 0.208 0.389 -3.307 391 H GLU 55 H GLU 55 -2.313 0.144 -3.076 392 HA GLU 55 HA GLU 55 -3.281 2.711 -2.084 393 HB2 GLU 55 1HB GLU 55 -4.515 2.106 -4.124 394 HB3 GLU 55 2HB GLU 55 -4.875 0.517 -3.479 395 HG2 GLU 55 1HG GLU 55 -5.711 2.493 -1.536 396 HG3 GLU 55 2HG GLU 55 -6.344 2.963 -3.101 397 H ARG 56 H ARG 56 -3.947 2.722 0.045 398 HA ARG 56 HA ARG 56 -3.488 0.364 1.519 399 HB2 ARG 56 1HB ARG 56 -3.111 2.807 2.278 400 HB3 ARG 56 2HB ARG 56 -4.846 2.918 2.503 401 HG2 ARG 56 1HG ARG 56 -4.699 0.882 4.038 402 HG3 ARG 56 2HG ARG 56 -2.954 0.980 3.912 403 HD2 ARG 56 1HD ARG 56 -3.993 2.148 5.952 404 HD3 ARG 56 2HD ARG 56 -2.877 3.116 5.010 405 HE ARG 56 HE ARG 56 -5.701 3.351 4.196 406 HH11 ARG 56 2HH2 ARG 56 -3.102 4.658 6.175 407 HH12 ARG 56 1HH2 ARG 56 -3.838 6.217 6.339 408 HH21 ARG 56 2HH1 ARG 56 -6.673 5.408 4.413 409 HH22 ARG 56 1HH1 ARG 56 -5.884 6.647 5.330 410 H LEU 57 H LEU 57 -5.004 -1.277 1.086 411 HA LEU 57 HA LEU 57 -7.621 -1.004 0.441 412 HB2 LEU 57 1HB LEU 57 -6.335 -3.153 2.130 413 HB3 LEU 57 2HB LEU 57 -7.909 -3.279 1.370 414 HG LEU 57 HG LEU 57 -6.594 -4.420 -0.125 415 HD11 LEU 57 1HD1 LEU 57 -6.603 -3.240 -2.119 416 HD12 LEU 57 2HD1 LEU 57 -7.765 -2.329 -1.124 417 HD13 LEU 57 3HD1 LEU 57 -6.109 -1.715 -1.345 418 HD21 LEU 57 1HD2 LEU 57 -4.472 -3.459 1.195 419 HD22 LEU 57 2HD2 LEU 57 -4.345 -4.287 -0.376 420 HD23 LEU 57 3HD2 LEU 57 -4.323 -2.508 -0.303 421 H ARG 58 H ARG 58 -6.073 -0.405 3.545 422 HA ARG 58 HA ARG 58 -7.997 -0.805 5.325 423 HB2 ARG 58 1HB ARG 58 -5.803 0.176 5.891 424 HB3 ARG 58 2HB ARG 58 -6.209 1.662 5.056 425 HG2 ARG 58 1HG ARG 58 -8.335 1.487 6.788 426 HG3 ARG 58 2HG ARG 58 -7.099 0.686 7.738 427 HD2 ARG 58 1HD ARG 58 -5.634 2.815 6.925 428 HD3 ARG 58 2HD ARG 58 -7.221 3.547 6.802 429 HE ARG 58 HE ARG 58 -5.836 2.802 9.262 430 HH11 ARG 58 2HH2 ARG 58 -8.999 3.349 7.821 431 HH12 ARG 58 1HH2 ARG 58 -9.767 3.708 9.331 432 HH21 ARG 58 2HH1 ARG 58 -6.848 3.276 11.255 433 HH22 ARG 58 1HH1 ARG 58 -8.535 3.667 11.298 434 H ASP 59 H ASP 59 -7.573 2.400 3.632 435 HA ASP 59 HA ASP 59 -10.450 2.749 3.956 436 HB2 ASP 59 1HB ASP 59 -8.575 4.368 5.000 437 HB3 ASP 59 2HB ASP 59 -8.572 5.046 3.384 438 H GLY 60 H GLY 60 -7.636 2.639 1.821 439 HA2 GLY 60 1HA GLY 60 -8.074 2.059 -0.484 440 HA3 GLY 60 2HA GLY 60 -9.381 3.227 -0.494 441 H GLU 61 H GLU 61 -6.873 4.472 1.433 442 HA GLU 61 HA GLU 61 -6.354 6.536 -0.320 443 HB2 GLU 61 1HB GLU 61 -5.192 5.547 2.260 444 HB3 GLU 61 2HB GLU 61 -4.207 6.668 1.341 445 HG2 GLU 61 1HG GLU 61 -5.750 7.793 2.998 446 HG3 GLU 61 2HG GLU 61 -5.956 8.355 1.351 447 H THR 62 H THR 62 -4.906 6.826 -1.988 448 HA THR 62 HA THR 62 -2.959 4.651 -2.399 449 HB THR 62 HB THR 62 -4.077 6.420 -4.600 450 HG1 THR 62 1HG THR 62 -5.910 5.021 -4.590 451 HG21 THR 62 1HG2 THR 62 -2.364 4.823 -5.308 452 HG22 THR 62 2HG2 THR 62 -3.130 3.518 -4.370 453 HG23 THR 62 3HG2 THR 62 -3.940 4.171 -5.814 454 H GLY 63 H GLY 63 -0.935 5.218 -1.939 455 HA2 GLY 63 1HA GLY 63 -0.001 7.835 -2.869 456 HA3 GLY 63 2HA GLY 63 0.147 7.467 -1.162 457 H TRP 64 H TRP 64 2.534 7.866 -1.988 458 HA TRP 64 HA TRP 64 3.632 5.437 -3.173 459 HB2 TRP 64 1HB TRP 64 4.668 8.227 -2.750 460 HB3 TRP 64 2HB TRP 64 5.763 6.898 -3.079 461 HD1 TRP 64 HD TRP 64 3.057 9.014 -4.806 462 HE1 TRP 64 1HE TRP 64 3.095 8.677 -7.423 463 HE3 TRP 64 3HE TRP 64 6.384 5.169 -4.788 464 HZ2 TRP 64 2HZ TRP 64 4.482 6.880 -9.153 465 HZ3 TRP 64 3HZ TRP 64 7.027 4.180 -6.984 466 HH2 TRP 64 HH TRP 64 6.134 4.975 -9.116 467 H PHE 65 H PHE 65 4.358 3.851 -1.823 468 HA PHE 65 HA PHE 65 5.231 4.700 0.849 469 HB2 PHE 65 1HB PHE 65 4.115 2.742 1.702 470 HB3 PHE 65 2HB PHE 65 2.998 3.340 0.490 471 HD1 PHE 65 2HD PHE 65 5.792 0.920 0.933 472 HD2 PHE 65 1HD PHE 65 2.274 1.930 -1.214 473 HE1 PHE 65 2HE PHE 65 5.863 -1.303 -0.230 474 HE2 PHE 65 1HE PHE 65 2.345 -0.293 -2.377 475 HZ PHE 65 HZ PHE 65 4.139 -1.883 -1.871 476 HA PRO 66 HA PRO 66 8.928 2.730 -0.342 477 HB2 PRO 66 1HB PRO 66 10.296 2.994 2.009 478 HB3 PRO 66 2HB PRO 66 10.200 4.267 0.808 479 HG2 PRO 66 1HG PRO 66 8.795 4.055 3.400 480 HG3 PRO 66 2HG PRO 66 9.047 5.473 2.401 481 HD2 PRO 66 1HD PRO 66 6.623 3.961 2.655 482 HD3 PRO 66 2HD PRO 66 6.910 5.307 1.570 483 H GLU 67 H GLU 67 10.182 0.806 -0.117 484 HA GLU 67 HA GLU 67 8.524 -1.241 0.911 485 HB2 GLU 67 1HB GLU 67 10.591 -2.679 0.255 486 HB3 GLU 67 2HB GLU 67 9.720 -1.855 -1.023 487 HG2 GLU 67 1HG GLU 67 11.494 -0.507 -1.526 488 HG3 GLU 67 2HG GLU 67 11.817 -0.151 0.159 489 H ASP 68 H ASP 68 11.443 0.517 1.980 490 HA ASP 68 HA ASP 68 12.383 -1.169 3.871 491 HB2 ASP 68 1HB ASP 68 12.779 1.501 3.125 492 HB3 ASP 68 2HB ASP 68 12.241 1.645 4.787 493 H PHE 69 H PHE 69 9.353 0.595 3.740 494 HA PHE 69 HA PHE 69 8.904 0.124 6.598 495 HB2 PHE 69 1HB PHE 69 7.633 1.922 4.453 496 HB3 PHE 69 2HB PHE 69 6.943 1.759 6.055 497 HD1 PHE 69 1HD PHE 69 10.134 2.680 4.363 498 HD2 PHE 69 2HD PHE 69 7.614 3.210 7.736 499 HE1 PHE 69 1HE PHE 69 11.634 4.511 5.196 500 HE2 PHE 69 2HE PHE 69 9.115 5.042 8.569 501 HZ PHE 69 HZ PHE 69 11.107 5.670 7.289 502 H ALA 70 H ALA 70 8.743 -1.847 4.231 503 HA ALA 70 HA ALA 70 6.222 -2.970 5.033 504 HB1 ALA 70 1HB ALA 70 6.178 -3.059 2.173 505 HB2 ALA 70 2HB ALA 70 5.004 -2.296 3.272 506 HB3 ALA 70 3HB ALA 70 6.389 -1.361 2.661 507 H ARG 71 H ARG 71 5.946 -5.175 3.789 508 HA ARG 71 HA ARG 71 8.564 -6.204 3.107 509 HB2 ARG 71 1HB ARG 71 6.873 -6.987 5.433 510 HB3 ARG 71 2HB ARG 71 7.436 -8.345 4.479 511 HG2 ARG 71 1HG ARG 71 9.754 -6.881 4.637 512 HG3 ARG 71 2HG ARG 71 9.000 -6.420 6.150 513 HD2 ARG 71 1HD ARG 71 9.860 -8.360 6.992 514 HD3 ARG 71 2HD ARG 71 8.575 -9.172 6.120 515 HE ARG 71 HE ARG 71 10.166 -10.002 4.628 516 HH11 ARG 71 2HH2 ARG 71 11.503 -7.179 6.248 517 HH12 ARG 71 1HH2 ARG 71 13.073 -7.356 5.538 518 HH21 ARG 71 2HH1 ARG 71 12.237 -10.236 3.691 519 HH22 ARG 71 1HH1 ARG 71 13.494 -9.107 4.074 520 H PHE 72 H PHE 72 8.302 -6.989 1.038 521 HA PHE 72 HA PHE 72 5.896 -7.431 -0.189 522 HB2 PHE 72 1HB PHE 72 8.795 -8.162 -0.515 523 HB3 PHE 72 2HB PHE 72 7.696 -9.177 -1.428 524 HD1 PHE 72 2HD PHE 72 6.144 -8.099 -3.093 525 HD2 PHE 72 1HD PHE 72 9.309 -5.969 -1.236 526 HE1 PHE 72 2HE PHE 72 6.023 -6.352 -4.892 527 HE2 PHE 72 1HE PHE 72 9.188 -4.221 -3.034 528 HZ PHE 72 HZ PHE 72 7.547 -4.434 -4.840 529 H ILE 73 H ILE 73 4.330 -8.733 0.734 530 HA ILE 73 HA ILE 73 4.869 -11.075 2.136 531 HB ILE 73 HB ILE 73 2.372 -10.197 0.681 532 HG12 ILE 73 1HG1 ILE 73 3.065 -9.870 3.611 533 HG13 ILE 73 2HG1 ILE 73 3.346 -8.622 2.413 534 HG21 ILE 73 1HG2 ILE 73 1.874 -12.391 1.081 535 HG22 ILE 73 2HG2 ILE 73 2.963 -12.505 2.485 536 HG23 ILE 73 3HG2 ILE 73 1.393 -11.680 2.641 537 HD11 ILE 73 1HD1 ILE 73 1.181 -8.231 3.490 538 HD12 ILE 73 2HD1 ILE 73 0.907 -8.699 1.794 539 HD13 ILE 73 3HD1 ILE 73 0.652 -9.884 3.097 540 H SER 74 H SER 74 3.492 -10.741 -1.216 541 HA SER 74 HA SER 74 4.941 -13.190 -1.835 542 HB2 SER 74 1HB SER 74 2.996 -13.872 -3.278 543 HB3 SER 74 2HB SER 74 2.625 -13.850 -1.566 544 HG SER 74 HG SER 74 2.043 -11.663 -3.374 545 H GLY 75 H GLY 75 6.167 -13.046 -3.704 546 HA2 GLY 75 1HA GLY 75 5.445 -11.021 -5.700 547 HA3 GLY 75 2HA GLY 75 7.020 -10.914 -4.938 548 HA PRO 76 HA PRO 76 7.436 -13.760 -8.458 549 HB2 PRO 76 1HB PRO 76 9.439 -12.445 -9.771 550 HB3 PRO 76 2HB PRO 76 7.742 -12.234 -10.154 551 HG2 PRO 76 1HG PRO 76 9.554 -10.408 -8.696 552 HG3 PRO 76 2HG PRO 76 8.013 -10.054 -9.451 553 HD2 PRO 76 1HD PRO 76 8.514 -10.388 -6.647 554 HD3 PRO 76 2HD PRO 76 6.955 -10.148 -7.412 555 H SER 77 H SER 77 9.335 -15.082 -9.242 556 HA SER 77 HA SER 77 11.670 -14.929 -7.744 557 HB2 SER 77 1HB SER 77 9.801 -15.856 -6.081 558 HB3 SER 77 2HB SER 77 10.091 -17.367 -6.920 559 HG SER 77 HG SER 77 12.524 -16.510 -6.416 560 H SER 78 H SER 78 13.197 -16.684 -8.364 561 HA SER 78 HA SER 78 12.618 -17.568 -10.991 562 HB2 SER 78 1HB SER 78 14.964 -17.461 -9.176 563 HB3 SER 78 2HB SER 78 14.973 -18.838 -10.260 564 HG SER 78 HG SER 78 15.569 -17.524 -11.828 565 H GLY 79 H GLY 79 12.498 -19.792 -11.735 566 HA2 GLY 79 1HA GLY 79 12.339 -21.886 -9.710 567 HA3 GLY 79 2HA GLY 79 10.860 -21.516 -10.574 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -1.333 20.499 -4.294 2 HA2 GLY 1 1HA GLY 1 -3.535 22.351 -4.963 3 HA3 GLY 1 2HA GLY 1 -3.740 20.614 -5.074 4 H SER 2 H SER 2 -5.404 20.642 -3.436 5 HA SER 2 HA SER 2 -4.345 20.298 -0.854 6 HB2 SER 2 1HB SER 2 -4.860 22.938 -1.358 7 HB3 SER 2 2HB SER 2 -6.434 22.434 -0.776 8 HG SER 2 HG SER 2 -5.580 21.873 1.210 9 H SER 3 H SER 3 -5.370 18.228 -1.213 10 HA SER 3 HA SER 3 -6.967 16.772 -1.012 11 HB2 SER 3 1HB SER 3 -8.021 19.080 0.454 12 HB3 SER 3 2HB SER 3 -9.321 18.129 -0.234 13 HG SER 3 HG SER 3 -7.795 17.577 1.949 14 H GLY 4 H GLY 4 -8.817 15.879 -2.206 15 HA2 GLY 4 1HA GLY 4 -9.376 17.424 -4.643 16 HA3 GLY 4 2HA GLY 4 -9.511 15.689 -4.441 17 H SER 5 H SER 5 -11.582 14.951 -4.405 18 HA SER 5 HA SER 5 -13.457 16.141 -2.667 19 HB2 SER 5 1HB SER 5 -13.654 16.650 -5.640 20 HB3 SER 5 2HB SER 5 -15.128 16.448 -4.714 21 HG SER 5 HG SER 5 -13.951 18.129 -3.207 22 H SER 6 H SER 6 -13.274 14.248 -5.777 23 HA SER 6 HA SER 6 -14.600 12.093 -4.327 24 HB2 SER 6 1HB SER 6 -16.180 13.100 -5.923 25 HB3 SER 6 2HB SER 6 -15.016 12.949 -7.225 26 HG SER 6 HG SER 6 -15.114 10.507 -6.493 27 H GLY 7 H GLY 7 -12.745 12.848 -7.373 28 HA2 GLY 7 1HA GLY 7 -10.857 11.913 -8.195 29 HA3 GLY 7 2HA GLY 7 -10.659 11.013 -6.704 30 H TRP 8 H TRP 8 -10.942 10.557 -9.929 31 HA TRP 8 HA TRP 8 -12.973 8.587 -10.088 32 HB2 TRP 8 1HB TRP 8 -11.100 9.900 -11.845 33 HB3 TRP 8 2HB TRP 8 -11.088 8.172 -12.137 34 HD1 TRP 8 HD TRP 8 -13.423 7.080 -13.070 35 HE1 TRP 8 1HE TRP 8 -15.547 8.054 -14.297 36 HE3 TRP 8 3HE TRP 8 -12.526 11.944 -11.888 37 HZ2 TRP 8 2HZ TRP 8 -16.590 10.690 -14.628 38 HZ3 TRP 8 3HZ TRP 8 -14.146 13.655 -12.702 39 HH2 TRP 8 HH TRP 8 -16.121 13.094 -14.028 40 H GLN 9 H GLN 9 -12.700 6.269 -10.183 41 HA GLN 9 HA GLN 9 -10.106 5.231 -9.566 42 HB2 GLN 9 1HB GLN 9 -11.100 5.865 -7.325 43 HB3 GLN 9 2HB GLN 9 -12.410 4.742 -7.629 44 HG2 GLN 9 1HG GLN 9 -10.495 2.976 -8.039 45 HG3 GLN 9 2HG GLN 9 -9.466 4.128 -7.212 46 HE21 GLN 9 1HE2 GLN 9 -12.676 2.614 -6.915 47 HE22 GLN 9 2HE2 GLN 9 -12.630 2.334 -5.207 48 H GLY 10 H GLY 10 -9.935 2.954 -10.039 49 HA2 GLY 10 1HA GLY 10 -10.601 0.942 -10.852 50 HA3 GLY 10 2HA GLY 10 -12.277 1.437 -10.728 51 H LEU 11 H LEU 11 -9.367 2.638 -12.562 52 HA LEU 11 HA LEU 11 -10.890 2.226 -15.019 53 HB2 LEU 11 1HB LEU 11 -9.798 4.512 -15.707 54 HB3 LEU 11 2HB LEU 11 -11.362 4.427 -14.922 55 HG LEU 11 HG LEU 11 -8.870 4.799 -13.277 56 HD11 LEU 11 1HD1 LEU 11 -9.182 6.481 -15.299 57 HD12 LEU 11 2HD1 LEU 11 -10.370 7.213 -14.193 58 HD13 LEU 11 3HD1 LEU 11 -8.673 7.036 -13.686 59 HD21 LEU 11 1HD2 LEU 11 -10.261 5.240 -11.576 60 HD22 LEU 11 2HD2 LEU 11 -11.360 6.208 -12.589 61 HD23 LEU 11 3HD2 LEU 11 -11.487 4.432 -12.583 62 H SER 12 H SER 12 -9.314 0.288 -14.638 63 HA SER 12 HA SER 12 -7.302 0.543 -16.498 64 HB2 SER 12 1HB SER 12 -6.384 1.770 -14.285 65 HB3 SER 12 2HB SER 12 -5.992 0.127 -13.820 66 HG SER 12 HG SER 12 -4.739 1.773 -15.650 67 H SER 13 H SER 13 -6.097 -1.553 -16.760 68 HA SER 13 HA SER 13 -7.795 -3.689 -16.006 69 HB2 SER 13 1HB SER 13 -5.343 -3.342 -17.707 70 HB3 SER 13 2HB SER 13 -5.695 -4.961 -17.138 71 HG SER 13 HG SER 13 -6.681 -4.427 -19.233 72 H LYS 14 H LYS 14 -7.597 -5.019 -14.230 73 HA LYS 14 HA LYS 14 -5.094 -4.788 -12.715 74 HB2 LYS 14 1HB LYS 14 -6.411 -5.348 -10.738 75 HB3 LYS 14 2HB LYS 14 -7.041 -3.918 -11.531 76 HG2 LYS 14 1HG LYS 14 -9.070 -4.917 -11.653 77 HG3 LYS 14 2HG LYS 14 -8.393 -6.102 -12.752 78 HD2 LYS 14 1HD LYS 14 -7.799 -7.590 -10.916 79 HD3 LYS 14 2HD LYS 14 -8.167 -6.361 -9.721 80 HE2 LYS 14 1HE LYS 14 -10.583 -6.423 -10.911 81 HE3 LYS 14 2HE LYS 14 -10.061 -8.030 -11.376 82 HZ1 LYS 14 1HZ LYS 14 -9.542 -8.390 -8.996 83 HZ2 LYS 14 2HZ LYS 14 -10.268 -6.969 -8.649 84 HZ3 LYS 14 3HZ LYS 14 -11.132 -8.188 -9.308 85 H GLY 15 H GLY 15 -5.128 -6.993 -11.138 86 HA2 GLY 15 1HA GLY 15 -5.898 -9.399 -12.371 87 HA3 GLY 15 2HA GLY 15 -4.254 -9.030 -12.852 88 H ASP 16 H ASP 16 -2.601 -9.619 -11.496 89 HA ASP 16 HA ASP 16 -3.381 -10.169 -8.740 90 HB2 ASP 16 1HB ASP 16 -1.153 -11.564 -10.286 91 HB3 ASP 16 2HB ASP 16 -1.787 -12.016 -8.716 92 H LEU 17 H LEU 17 -2.677 -7.749 -8.619 93 HA LEU 17 HA LEU 17 0.048 -7.124 -9.092 94 HB2 LEU 17 1HB LEU 17 -2.299 -5.763 -7.831 95 HB3 LEU 17 2HB LEU 17 -0.693 -5.109 -7.580 96 HG LEU 17 HG LEU 17 -2.045 -5.539 -10.259 97 HD11 LEU 17 1HD1 LEU 17 -2.205 -3.404 -8.361 98 HD12 LEU 17 2HD1 LEU 17 -1.352 -2.825 -9.812 99 HD13 LEU 17 3HD1 LEU 17 -2.971 -3.549 -9.961 100 HD21 LEU 17 1HD2 LEU 17 0.760 -5.045 -9.533 101 HD22 LEU 17 2HD2 LEU 17 0.048 -5.657 -11.046 102 HD23 LEU 17 3HD2 LEU 17 0.100 -3.905 -10.732 103 HA PRO 18 HA PRO 18 1.812 -8.317 -5.339 104 HB2 PRO 18 1HB PRO 18 3.717 -6.411 -4.890 105 HB3 PRO 18 2HB PRO 18 3.929 -7.727 -6.027 106 HG2 PRO 18 1HG PRO 18 3.366 -4.877 -6.575 107 HG3 PRO 18 2HG PRO 18 3.992 -6.101 -7.662 108 HD2 PRO 18 1HD PRO 18 1.314 -5.078 -7.591 109 HD3 PRO 18 2HD PRO 18 1.911 -6.382 -8.597 110 H GLN 19 H GLN 19 2.280 -7.886 -3.018 111 HA GLN 19 HA GLN 19 0.839 -5.561 -2.108 112 HB2 GLN 19 1HB GLN 19 0.060 -8.419 -1.414 113 HB3 GLN 19 2HB GLN 19 -0.397 -7.059 -0.408 114 HG2 GLN 19 1HG GLN 19 -1.137 -6.143 -2.916 115 HG3 GLN 19 2HG GLN 19 -1.425 -7.864 -3.084 116 HE21 GLN 19 1HE2 GLN 19 -1.881 -5.227 -0.734 117 HE22 GLN 19 2HE2 GLN 19 -3.470 -5.672 -0.207 118 H VAL 20 H VAL 20 1.530 -4.830 -0.029 119 HA VAL 20 HA VAL 20 3.588 -6.471 1.251 120 HB VAL 20 HB VAL 20 5.130 -4.720 1.353 121 HG11 VAL 20 1HG1 VAL 20 4.014 -4.292 -1.422 122 HG12 VAL 20 2HG1 VAL 20 5.712 -4.350 -0.893 123 HG13 VAL 20 3HG1 VAL 20 4.742 -5.842 -0.936 124 HG21 VAL 20 1HG2 VAL 20 3.094 -2.804 0.174 125 HG22 VAL 20 2HG2 VAL 20 3.449 -2.945 1.912 126 HG23 VAL 20 3HG2 VAL 20 4.721 -2.418 0.784 127 H GLU 21 H GLU 21 3.746 -6.167 3.532 128 HA GLU 21 HA GLU 21 1.434 -4.739 4.584 129 HB2 GLU 21 1HB GLU 21 1.381 -7.143 5.048 130 HB3 GLU 21 2HB GLU 21 3.004 -7.099 5.708 131 HG2 GLU 21 1HG GLU 21 2.247 -5.612 7.547 132 HG3 GLU 21 2HG GLU 21 0.632 -5.560 6.867 133 H ILE 22 H ILE 22 1.896 -2.806 5.531 134 HA ILE 22 HA ILE 22 4.470 -1.901 5.973 135 HB ILE 22 HB ILE 22 1.914 -0.984 7.295 136 HG12 ILE 22 1HG1 ILE 22 1.355 -0.879 5.058 137 HG13 ILE 22 2HG1 ILE 22 2.036 0.712 5.331 138 HG21 ILE 22 1HG2 ILE 22 3.333 0.348 8.405 139 HG22 ILE 22 2HG2 ILE 22 4.679 0.020 7.288 140 HG23 ILE 22 3HG2 ILE 22 3.449 1.236 6.867 141 HD11 ILE 22 1HD1 ILE 22 3.239 -1.643 3.869 142 HD12 ILE 22 2HD1 ILE 22 3.147 0.063 3.373 143 HD13 ILE 22 3HD1 ILE 22 4.318 -0.440 4.615 144 H THR 23 H THR 23 5.918 -2.001 7.652 145 HA THR 23 HA THR 23 5.189 -3.824 9.816 146 HB THR 23 HB THR 23 7.652 -3.949 10.110 147 HG1 THR 23 1HG THR 23 8.901 -2.403 9.004 148 HG21 THR 23 1HG2 THR 23 6.306 -4.738 7.731 149 HG22 THR 23 2HG2 THR 23 7.788 -3.918 7.184 150 HG23 THR 23 3HG2 THR 23 7.896 -5.310 8.289 151 H LYS 24 H LYS 24 6.278 -0.457 9.214 152 HA LYS 24 HA LYS 24 5.422 0.127 11.950 153 HB2 LYS 24 1HB LYS 24 7.350 1.559 12.313 154 HB3 LYS 24 2HB LYS 24 7.862 -0.087 11.999 155 HG2 LYS 24 1HG LYS 24 7.793 1.002 9.434 156 HG3 LYS 24 2HG LYS 24 8.321 2.366 10.398 157 HD2 LYS 24 1HD LYS 24 10.106 0.890 11.426 158 HD3 LYS 24 2HD LYS 24 9.615 -0.401 10.347 159 HE2 LYS 24 1HE LYS 24 11.095 0.454 8.845 160 HE3 LYS 24 2HE LYS 24 9.953 1.761 8.600 161 HZ1 LYS 24 1HZ LYS 24 12.423 2.101 9.477 162 HZ2 LYS 24 2HZ LYS 24 11.210 3.152 9.780 163 HZ3 LYS 24 3HZ LYS 24 11.634 2.047 10.906 164 H ALA 25 H ALA 25 4.610 2.295 12.244 165 HA ALA 25 HA ALA 25 3.042 3.201 10.175 166 HB1 ALA 25 1HB ALA 25 2.338 4.002 12.206 167 HB2 ALA 25 2HB ALA 25 3.995 4.234 12.812 168 HB3 ALA 25 3HB ALA 25 3.283 5.420 11.692 169 H PHE 26 H PHE 26 3.319 4.555 8.436 170 HA PHE 26 HA PHE 26 5.998 5.729 8.177 171 HB2 PHE 26 1HB PHE 26 5.737 4.056 6.469 172 HB3 PHE 26 2HB PHE 26 4.016 4.352 6.319 173 HD1 PHE 26 2HD PHE 26 7.096 6.450 5.967 174 HD2 PHE 26 1HD PHE 26 3.433 5.165 4.254 175 HE1 PHE 26 2HE PHE 26 7.521 7.906 3.967 176 HE2 PHE 26 1HE PHE 26 3.857 6.621 2.254 177 HZ PHE 26 HZ PHE 26 5.897 7.974 2.134 178 H PHE 27 H PHE 27 5.246 7.689 9.275 179 HA PHE 27 HA PHE 27 3.003 9.113 8.456 180 HB2 PHE 27 1HB PHE 27 5.729 9.877 9.654 181 HB3 PHE 27 2HB PHE 27 4.416 11.030 9.527 182 HD1 PHE 27 2HD PHE 27 2.221 10.464 10.725 183 HD2 PHE 27 1HD PHE 27 5.869 8.438 11.496 184 HE1 PHE 27 2HE PHE 27 1.320 9.681 12.932 185 HE2 PHE 27 1HE PHE 27 4.968 7.655 13.703 186 HZ PHE 27 HZ PHE 27 2.704 8.286 14.395 187 H ALA 28 H ALA 28 2.579 9.950 6.470 188 HA ALA 28 HA ALA 28 4.627 10.347 4.563 189 HB1 ALA 28 1HB ALA 28 2.512 9.771 3.710 190 HB2 ALA 28 2HB ALA 28 1.667 10.946 4.746 191 HB3 ALA 28 3HB ALA 28 2.630 11.512 3.360 192 H LYS 29 H LYS 29 5.668 12.224 3.881 193 HA LYS 29 HA LYS 29 5.191 14.556 5.601 194 HB2 LYS 29 1HB LYS 29 7.499 15.103 5.392 195 HB3 LYS 29 2HB LYS 29 7.404 13.412 5.838 196 HG2 LYS 29 1HG LYS 29 7.364 13.801 2.910 197 HG3 LYS 29 2HG LYS 29 8.807 14.467 3.649 198 HD2 LYS 29 1HD LYS 29 8.145 11.834 4.780 199 HD3 LYS 29 2HD LYS 29 8.325 11.751 3.039 200 HE2 LYS 29 1HE LYS 29 10.409 13.366 4.447 201 HE3 LYS 29 2HE LYS 29 10.427 11.653 4.814 202 HZ1 LYS 29 1HZ LYS 29 10.135 12.321 2.032 203 HZ2 LYS 29 2HZ LYS 29 11.581 12.693 2.693 204 HZ3 LYS 29 3HZ LYS 29 11.036 11.154 2.736 205 H GLN 30 H GLN 30 5.406 13.265 2.307 206 HA GLN 30 HA GLN 30 5.091 15.956 1.273 207 HB2 GLN 30 1HB GLN 30 5.832 13.295 0.022 208 HB3 GLN 30 2HB GLN 30 5.305 14.631 -0.982 209 HG2 GLN 30 1HG GLN 30 7.140 15.918 0.610 210 HG3 GLN 30 2HG GLN 30 7.835 14.309 0.577 211 HE21 GLN 30 1HE2 GLN 30 8.937 13.651 -1.135 212 HE22 GLN 30 2HE2 GLN 30 9.079 14.483 -2.648 213 H ALA 31 H ALA 31 3.607 15.637 -1.009 214 HA ALA 31 HA ALA 31 1.010 14.917 0.106 215 HB1 ALA 31 1HB ALA 31 0.104 16.418 -1.459 216 HB2 ALA 31 2HB ALA 31 1.645 17.188 -1.010 217 HB3 ALA 31 3HB ALA 31 1.512 16.291 -2.541 218 H ASP 32 H ASP 32 3.514 13.519 -1.684 219 HA ASP 32 HA ASP 32 1.730 12.091 -3.440 220 HB2 ASP 32 1HB ASP 32 4.078 10.938 -3.976 221 HB3 ASP 32 2HB ASP 32 3.680 12.517 -4.625 222 H GLU 33 H GLU 33 3.516 11.817 -0.399 223 HA GLU 33 HA GLU 33 3.479 8.975 -0.364 224 HB2 GLU 33 1HB GLU 33 4.060 11.005 1.838 225 HB3 GLU 33 2HB GLU 33 4.317 9.277 1.984 226 HG2 GLU 33 1HG GLU 33 6.215 9.310 0.686 227 HG3 GLU 33 2HG GLU 33 5.549 10.472 -0.444 228 H VAL 34 H VAL 34 2.577 8.060 1.984 229 HA VAL 34 HA VAL 34 0.027 9.262 2.615 230 HB VAL 34 HB VAL 34 -0.627 7.980 0.725 231 HG11 VAL 34 1HG1 VAL 34 -0.180 5.524 0.572 232 HG12 VAL 34 2HG1 VAL 34 1.282 6.532 0.441 233 HG13 VAL 34 3HG1 VAL 34 0.921 5.680 1.962 234 HG21 VAL 34 1HG2 VAL 34 -2.447 7.280 1.805 235 HG22 VAL 34 2HG2 VAL 34 -1.557 5.893 2.476 236 HG23 VAL 34 3HG2 VAL 34 -1.570 7.446 3.345 237 H THR 35 H THR 35 -0.501 8.907 4.749 238 HA THR 35 HA THR 35 1.490 7.714 6.389 239 HB THR 35 HB THR 35 -1.348 8.719 6.968 240 HG1 THR 35 1HG THR 35 -0.158 10.677 7.306 241 HG21 THR 35 1HG2 THR 35 0.275 7.303 8.714 242 HG22 THR 35 2HG2 THR 35 0.845 8.969 8.974 243 HG23 THR 35 3HG2 THR 35 -0.871 8.567 9.222 244 H LEU 36 H LEU 36 1.659 5.735 7.308 245 HA LEU 36 HA LEU 36 -0.626 3.939 6.937 246 HB2 LEU 36 1HB LEU 36 2.204 3.021 6.519 247 HB3 LEU 36 2HB LEU 36 0.710 2.202 6.109 248 HG LEU 36 HG LEU 36 1.542 4.779 4.768 249 HD11 LEU 36 1HD1 LEU 36 3.258 2.858 4.599 250 HD12 LEU 36 2HD1 LEU 36 2.047 2.068 3.561 251 HD13 LEU 36 3HD1 LEU 36 2.714 3.654 3.102 252 HD21 LEU 36 1HD2 LEU 36 -0.745 4.360 4.400 253 HD22 LEU 36 2HD2 LEU 36 0.082 3.788 2.932 254 HD23 LEU 36 3HD2 LEU 36 -0.476 2.618 4.153 255 H GLN 37 H GLN 37 -0.332 1.907 8.373 256 HA GLN 37 HA GLN 37 0.963 2.773 10.841 257 HB2 GLN 37 1HB GLN 37 -1.732 1.453 10.397 258 HB3 GLN 37 2HB GLN 37 -0.908 1.300 11.936 259 HG2 GLN 37 1HG GLN 37 -1.450 3.994 10.609 260 HG3 GLN 37 2HG GLN 37 -2.559 3.255 11.748 261 HE21 GLN 37 1HE2 GLN 37 -0.242 5.482 11.473 262 HE22 GLN 37 2HE2 GLN 37 0.442 5.498 13.065 263 H GLN 38 H GLN 38 1.146 0.666 12.394 264 HA GLN 38 HA GLN 38 2.855 -1.058 10.958 265 HB2 GLN 38 1HB GLN 38 3.368 -0.434 13.263 266 HB3 GLN 38 2HB GLN 38 1.847 -1.091 13.834 267 HG2 GLN 38 1HG GLN 38 3.337 -3.104 12.310 268 HG3 GLN 38 2HG GLN 38 4.319 -2.461 13.611 269 HE21 GLN 38 1HE2 GLN 38 4.285 -4.164 14.954 270 HE22 GLN 38 2HE2 GLN 38 2.877 -4.786 15.748 271 H ALA 39 H ALA 39 2.374 -2.963 9.941 272 HA ALA 39 HA ALA 39 1.334 -4.861 9.432 273 HB1 ALA 39 1HB ALA 39 0.602 -4.456 12.162 274 HB2 ALA 39 2HB ALA 39 -0.862 -4.972 11.291 275 HB3 ALA 39 3HB ALA 39 0.606 -5.978 11.239 276 H ASP 40 H ASP 40 0.802 -2.550 8.029 277 HA ASP 40 HA ASP 40 -2.093 -2.646 7.709 278 HB2 ASP 40 1HB ASP 40 -0.015 -0.512 7.081 279 HB3 ASP 40 2HB ASP 40 -1.614 -0.456 6.366 280 H VAL 41 H VAL 41 -2.824 -3.582 5.784 281 HA VAL 41 HA VAL 41 -0.842 -4.424 3.867 282 HB VAL 41 HB VAL 41 -3.840 -4.816 3.961 283 HG11 VAL 41 1HG1 VAL 41 -2.913 -6.931 2.570 284 HG12 VAL 41 2HG1 VAL 41 -3.432 -5.411 1.804 285 HG13 VAL 41 3HG1 VAL 41 -1.703 -5.715 2.097 286 HG21 VAL 41 1HG2 VAL 41 -1.544 -6.374 5.140 287 HG22 VAL 41 2HG2 VAL 41 -3.077 -5.876 5.895 288 HG23 VAL 41 3HG2 VAL 41 -3.063 -7.185 4.689 289 H VAL 42 H VAL 42 -0.527 -3.601 1.815 290 HA VAL 42 HA VAL 42 -2.374 -1.505 0.949 291 HB VAL 42 HB VAL 42 0.625 -1.303 1.227 292 HG11 VAL 42 1HG1 VAL 42 0.554 0.781 -0.008 293 HG12 VAL 42 2HG1 VAL 42 -0.097 -0.526 -1.025 294 HG13 VAL 42 3HG1 VAL 42 -1.204 0.627 -0.241 295 HG21 VAL 42 1HG2 VAL 42 0.258 0.378 2.765 296 HG22 VAL 42 2HG2 VAL 42 -1.344 0.785 2.106 297 HG23 VAL 42 3HG2 VAL 42 -1.135 -0.681 3.092 298 H LEU 43 H LEU 43 -2.905 -1.659 -1.196 299 HA LEU 43 HA LEU 43 -1.733 -3.887 -2.624 300 HB2 LEU 43 1HB LEU 43 -4.185 -3.524 -2.456 301 HB3 LEU 43 2HB LEU 43 -4.006 -2.047 -3.382 302 HG LEU 43 HG LEU 43 -2.837 -3.702 -5.120 303 HD11 LEU 43 1HD1 LEU 43 -4.693 -5.496 -3.537 304 HD12 LEU 43 2HD1 LEU 43 -4.086 -5.863 -5.170 305 HD13 LEU 43 3HD1 LEU 43 -2.947 -5.706 -3.811 306 HD21 LEU 43 1HD2 LEU 43 -5.424 -2.518 -4.804 307 HD22 LEU 43 2HD2 LEU 43 -4.533 -2.898 -6.297 308 HD23 LEU 43 3HD2 LEU 43 -5.607 -4.116 -5.568 309 H VAL 44 H VAL 44 0.147 -3.554 -3.685 310 HA VAL 44 HA VAL 44 1.078 -1.005 -4.366 311 HB VAL 44 HB VAL 44 1.850 -3.764 -5.335 312 HG11 VAL 44 1HG1 VAL 44 2.544 -1.577 -6.680 313 HG12 VAL 44 2HG1 VAL 44 3.758 -1.459 -5.383 314 HG13 VAL 44 3HG1 VAL 44 3.690 -2.912 -6.409 315 HG21 VAL 44 1HG2 VAL 44 2.448 -3.937 -3.159 316 HG22 VAL 44 2HG2 VAL 44 3.844 -2.960 -3.673 317 HG23 VAL 44 3HG2 VAL 44 2.443 -2.176 -2.904 318 H LEU 45 H LEU 45 1.039 0.185 -6.279 319 HA LEU 45 HA LEU 45 -0.707 -0.928 -8.364 320 HB2 LEU 45 1HB LEU 45 -0.499 1.868 -7.263 321 HB3 LEU 45 2HB LEU 45 -1.219 1.526 -8.824 322 HG LEU 45 HG LEU 45 -2.209 0.095 -6.370 323 HD11 LEU 45 1HD1 LEU 45 -2.882 1.976 -5.406 324 HD12 LEU 45 2HD1 LEU 45 -2.301 2.951 -6.777 325 HD13 LEU 45 3HD1 LEU 45 -3.941 2.261 -6.807 326 HD21 LEU 45 1HD2 LEU 45 -3.717 -0.733 -7.768 327 HD22 LEU 45 2HD2 LEU 45 -4.219 0.903 -8.258 328 HD23 LEU 45 3HD2 LEU 45 -2.886 0.088 -9.111 329 H GLN 46 H GLN 46 2.178 1.049 -7.537 330 HA GLN 46 HA GLN 46 3.228 0.311 -10.128 331 HB2 GLN 46 1HB GLN 46 2.528 3.062 -9.283 332 HB3 GLN 46 2HB GLN 46 4.174 2.912 -9.866 333 HG2 GLN 46 1HG GLN 46 3.497 2.620 -12.024 334 HG3 GLN 46 2HG GLN 46 2.297 1.425 -11.573 335 HE21 GLN 46 1HE2 GLN 46 0.209 1.961 -11.401 336 HE22 GLN 46 2HE2 GLN 46 -0.452 3.540 -11.664 337 H GLN 47 H GLN 47 5.309 -0.432 -9.932 338 HA GLN 47 HA GLN 47 6.577 0.077 -7.368 339 HB2 GLN 47 1HB GLN 47 6.525 -2.206 -9.274 340 HB3 GLN 47 2HB GLN 47 8.098 -1.883 -8.574 341 HG2 GLN 47 1HG GLN 47 6.837 -1.777 -6.280 342 HG3 GLN 47 2HG GLN 47 5.505 -2.538 -7.127 343 HE21 GLN 47 1HE2 GLN 47 9.039 -2.824 -6.780 344 HE22 GLN 47 2HE2 GLN 47 9.112 -4.552 -6.677 345 H GLU 48 H GLU 48 8.072 1.696 -7.349 346 HA GLU 48 HA GLU 48 9.653 1.997 -9.784 347 HB2 GLU 48 1HB GLU 48 7.907 3.868 -8.937 348 HB3 GLU 48 2HB GLU 48 9.263 4.331 -7.929 349 HG2 GLU 48 1HG GLU 48 10.624 4.104 -10.233 350 HG3 GLU 48 2HG GLU 48 9.040 4.357 -10.939 351 H ASP 49 H ASP 49 11.727 1.338 -9.439 352 HA ASP 49 HA ASP 49 12.826 0.513 -7.211 353 HB2 ASP 49 1HB ASP 49 13.758 1.112 -9.735 354 HB3 ASP 49 2HB ASP 49 14.665 2.270 -8.782 355 H GLY 50 H GLY 50 12.619 1.574 -5.205 356 HA2 GLY 50 1HA GLY 50 13.993 3.219 -3.932 357 HA3 GLY 50 2HA GLY 50 13.454 4.411 -5.099 358 H TRP 51 H TRP 51 10.722 3.524 -5.445 359 HA TRP 51 HA TRP 51 9.609 3.647 -2.753 360 HB2 TRP 51 1HB TRP 51 9.197 5.719 -4.899 361 HB3 TRP 51 2HB TRP 51 8.005 5.437 -3.645 362 HD1 TRP 51 HD TRP 51 11.730 6.541 -3.937 363 HE1 TRP 51 1HE TRP 51 12.413 8.064 -1.894 364 HE3 TRP 51 3HE TRP 51 7.343 6.034 -1.417 365 HZ2 TRP 51 2HZ TRP 51 11.072 8.868 0.494 366 HZ3 TRP 51 3HZ TRP 51 7.112 7.220 0.763 367 HH2 TRP 51 HH TRP 51 8.887 8.599 1.723 368 H LEU 52 H LEU 52 7.514 2.677 -2.652 369 HA LEU 52 HA LEU 52 6.691 1.407 -5.172 370 HB2 LEU 52 1HB LEU 52 6.184 0.221 -2.463 371 HB3 LEU 52 2HB LEU 52 6.138 -0.551 -4.036 372 HG LEU 52 HG LEU 52 8.065 -1.278 -2.721 373 HD11 LEU 52 1HD1 LEU 52 9.884 -0.526 -4.433 374 HD12 LEU 52 2HD1 LEU 52 8.509 -1.520 -4.973 375 HD13 LEU 52 3HD1 LEU 52 8.512 0.234 -5.275 376 HD21 LEU 52 1HD2 LEU 52 9.623 0.071 -1.750 377 HD22 LEU 52 2HD2 LEU 52 9.422 1.368 -2.953 378 HD23 LEU 52 3HD2 LEU 52 8.214 1.156 -1.663 379 H TYR 53 H TYR 53 4.730 2.020 -5.908 380 HA TYR 53 HA TYR 53 3.059 3.578 -4.102 381 HB2 TYR 53 1HB TYR 53 3.790 4.214 -6.516 382 HB3 TYR 53 2HB TYR 53 2.844 2.855 -7.090 383 HD1 TYR 53 1HD TYR 53 2.299 5.746 -4.743 384 HD2 TYR 53 2HD TYR 53 0.800 3.422 -8.007 385 HE1 TYR 53 1HE TYR 53 0.234 7.224 -4.856 386 HE2 TYR 53 2HE TYR 53 -1.261 4.907 -8.108 387 HH TYR 53 HH TYR 53 -2.502 6.356 -6.728 388 H GLY 54 H GLY 54 0.912 3.055 -3.580 389 HA2 GLY 54 1HA GLY 54 -0.402 0.789 -4.736 390 HA3 GLY 54 2HA GLY 54 0.242 0.436 -3.145 391 H GLU 55 H GLU 55 -2.299 0.179 -2.946 392 HA GLU 55 HA GLU 55 -3.272 2.765 -2.011 393 HB2 GLU 55 1HB GLU 55 -4.538 2.240 -3.999 394 HB3 GLU 55 2HB GLU 55 -4.778 0.579 -3.497 395 HG2 GLU 55 1HG GLU 55 -5.760 2.307 -1.394 396 HG3 GLU 55 2HG GLU 55 -6.427 2.865 -2.916 397 H ARG 56 H ARG 56 -4.054 2.809 0.090 398 HA ARG 56 HA ARG 56 -3.531 0.539 1.655 399 HB2 ARG 56 1HB ARG 56 -3.490 3.112 2.266 400 HB3 ARG 56 2HB ARG 56 -5.201 2.906 2.582 401 HG2 ARG 56 1HG ARG 56 -4.821 1.349 4.348 402 HG3 ARG 56 2HG ARG 56 -3.190 0.995 3.814 403 HD2 ARG 56 1HD ARG 56 -3.347 2.493 5.879 404 HD3 ARG 56 2HD ARG 56 -2.359 3.129 4.579 405 HE ARG 56 HE ARG 56 -4.847 4.179 4.008 406 HH11 ARG 56 2HH2 ARG 56 -2.848 4.156 6.903 407 HH12 ARG 56 1HH2 ARG 56 -3.463 5.664 7.494 408 HH21 ARG 56 2HH1 ARG 56 -5.659 6.168 4.787 409 HH22 ARG 56 1HH1 ARG 56 -5.072 6.816 6.282 410 H LEU 57 H LEU 57 -4.877 -1.222 1.855 411 HA LEU 57 HA LEU 57 -7.512 -1.179 0.870 412 HB2 LEU 57 1HB LEU 57 -5.957 -3.158 2.531 413 HB3 LEU 57 2HB LEU 57 -7.599 -3.448 1.990 414 HG LEU 57 HG LEU 57 -6.256 -4.569 0.441 415 HD11 LEU 57 1HD1 LEU 57 -6.825 -3.632 -1.613 416 HD12 LEU 57 2HD1 LEU 57 -8.007 -2.920 -0.489 417 HD13 LEU 57 3HD1 LEU 57 -6.605 -1.965 -1.029 418 HD21 LEU 57 1HD2 LEU 57 -4.511 -2.167 -0.074 419 HD22 LEU 57 2HD2 LEU 57 -4.149 -3.324 1.230 420 HD23 LEU 57 3HD2 LEU 57 -4.215 -3.880 -0.460 421 H ARG 58 H ARG 58 -6.143 0.062 3.738 422 HA ARG 58 HA ARG 58 -8.104 -0.592 5.567 423 HB2 ARG 58 1HB ARG 58 -5.873 0.442 6.111 424 HB3 ARG 58 2HB ARG 58 -6.412 1.954 5.408 425 HG2 ARG 58 1HG ARG 58 -8.069 2.291 7.113 426 HG3 ARG 58 2HG ARG 58 -7.989 0.622 7.642 427 HD2 ARG 58 1HD ARG 58 -5.502 1.113 8.255 428 HD3 ARG 58 2HD ARG 58 -5.906 2.806 8.054 429 HE ARG 58 HE ARG 58 -7.885 1.631 9.741 430 HH11 ARG 58 2HH2 ARG 58 -4.461 2.439 9.800 431 HH12 ARG 58 1HH2 ARG 58 -4.410 2.651 11.519 432 HH21 ARG 58 2HH1 ARG 58 -7.818 1.911 12.008 433 HH22 ARG 58 1HH1 ARG 58 -6.332 2.348 12.783 434 H ASP 59 H ASP 59 -7.607 2.588 3.847 435 HA ASP 59 HA ASP 59 -10.489 2.958 4.071 436 HB2 ASP 59 1HB ASP 59 -8.918 4.616 5.239 437 HB3 ASP 59 2HB ASP 59 -8.350 5.095 3.652 438 H GLY 60 H GLY 60 -7.623 2.763 2.010 439 HA2 GLY 60 1HA GLY 60 -7.950 2.128 -0.280 440 HA3 GLY 60 2HA GLY 60 -9.317 3.222 -0.367 441 H GLU 61 H GLU 61 -6.776 4.534 1.559 442 HA GLU 61 HA GLU 61 -6.375 6.624 -0.225 443 HB2 GLU 61 1HB GLU 61 -5.716 6.008 2.464 444 HB3 GLU 61 2HB GLU 61 -4.181 6.326 1.679 445 HG2 GLU 61 1HG GLU 61 -5.889 8.339 0.678 446 HG3 GLU 61 2HG GLU 61 -6.344 8.197 2.365 447 H THR 62 H THR 62 -5.085 6.789 -2.010 448 HA THR 62 HA THR 62 -3.035 4.709 -2.354 449 HB THR 62 HB THR 62 -4.118 6.493 -4.556 450 HG1 THR 62 1HG THR 62 -5.941 5.026 -4.606 451 HG21 THR 62 1HG2 THR 62 -2.489 4.903 -5.346 452 HG22 THR 62 2HG2 THR 62 -3.123 3.620 -4.287 453 HG23 THR 62 3HG2 THR 62 -4.064 4.153 -5.701 454 H GLY 63 H GLY 63 -1.011 5.269 -1.891 455 HA2 GLY 63 1HA GLY 63 -0.083 7.906 -2.773 456 HA3 GLY 63 2HA GLY 63 0.067 7.505 -1.074 457 H TRP 64 H TRP 64 2.453 7.925 -1.896 458 HA TRP 64 HA TRP 64 3.552 5.505 -3.106 459 HB2 TRP 64 1HB TRP 64 4.558 8.309 -2.719 460 HB3 TRP 64 2HB TRP 64 5.676 6.994 -3.022 461 HD1 TRP 64 HD TRP 64 3.064 9.136 -4.807 462 HE1 TRP 64 1HE TRP 64 3.071 8.717 -7.412 463 HE3 TRP 64 3HE TRP 64 6.159 5.104 -4.679 464 HZ2 TRP 64 2HZ TRP 64 4.342 6.789 -9.090 465 HZ3 TRP 64 3HZ TRP 64 6.733 4.011 -6.845 466 HH2 TRP 64 HH TRP 64 5.878 4.792 -8.998 467 H PHE 65 H PHE 65 4.438 3.952 -1.808 468 HA PHE 65 HA PHE 65 5.300 4.809 0.864 469 HB2 PHE 65 1HB PHE 65 4.223 2.834 1.746 470 HB3 PHE 65 2HB PHE 65 3.065 3.449 0.583 471 HD1 PHE 65 1HD PHE 65 5.864 1.014 0.893 472 HD2 PHE 65 2HD PHE 65 2.269 2.060 -1.105 473 HE1 PHE 65 1HE PHE 65 5.881 -1.197 -0.295 474 HE2 PHE 65 2HE PHE 65 2.287 -0.151 -2.294 475 HZ PHE 65 HZ PHE 65 4.092 -1.753 -1.875 476 HA PRO 66 HA PRO 66 8.977 2.838 -0.380 477 HB2 PRO 66 1HB PRO 66 10.378 3.088 1.953 478 HB3 PRO 66 2HB PRO 66 10.265 4.368 0.762 479 HG2 PRO 66 1HG PRO 66 8.896 4.139 3.372 480 HG3 PRO 66 2HG PRO 66 9.134 5.563 2.379 481 HD2 PRO 66 1HD PRO 66 6.713 4.049 2.657 482 HD3 PRO 66 2HD PRO 66 6.985 5.402 1.577 483 H GLU 67 H GLU 67 10.238 0.915 -0.183 484 HA GLU 67 HA GLU 67 8.594 -1.141 0.849 485 HB2 GLU 67 1HB GLU 67 10.654 -2.572 0.163 486 HB3 GLU 67 2HB GLU 67 9.773 -1.738 -1.102 487 HG2 GLU 67 1HG GLU 67 11.547 -0.394 -1.612 488 HG3 GLU 67 2HG GLU 67 11.876 -0.039 0.072 489 H ASP 68 H ASP 68 11.534 0.602 1.894 490 HA ASP 68 HA ASP 68 12.503 -1.083 3.759 491 HB2 ASP 68 1HB ASP 68 12.681 1.713 3.129 492 HB3 ASP 68 2HB ASP 68 12.445 1.605 4.862 493 H PHE 69 H PHE 69 9.455 0.665 3.694 494 HA PHE 69 HA PHE 69 9.027 0.073 6.535 495 HB2 PHE 69 1HB PHE 69 7.738 2.010 4.521 496 HB3 PHE 69 2HB PHE 69 7.136 1.801 6.153 497 HD1 PHE 69 2HD PHE 69 10.225 2.734 4.295 498 HD2 PHE 69 1HD PHE 69 7.971 3.130 7.868 499 HE1 PHE 69 2HE PHE 69 11.825 4.488 5.110 500 HE2 PHE 69 1HE PHE 69 9.571 4.884 8.683 501 HZ PHE 69 HZ PHE 69 11.479 5.543 7.294 502 H ALA 70 H ALA 70 8.836 -1.854 4.223 503 HA ALA 70 HA ALA 70 6.279 -2.913 4.925 504 HB1 ALA 70 1HB ALA 70 6.512 -1.228 2.583 505 HB2 ALA 70 2HB ALA 70 6.149 -2.900 2.091 506 HB3 ALA 70 3HB ALA 70 5.076 -2.056 3.233 507 H ARG 71 H ARG 71 5.955 -5.081 3.729 508 HA ARG 71 HA ARG 71 8.517 -6.123 2.867 509 HB2 ARG 71 1HB ARG 71 8.023 -8.233 4.228 510 HB3 ARG 71 2HB ARG 71 8.427 -6.820 5.183 511 HG2 ARG 71 1HG ARG 71 6.161 -6.456 5.839 512 HG3 ARG 71 2HG ARG 71 5.526 -7.442 4.537 513 HD2 ARG 71 1HD ARG 71 7.239 -8.591 6.789 514 HD3 ARG 71 2HD ARG 71 5.490 -8.518 6.871 515 HE ARG 71 HE ARG 71 6.285 -9.742 4.388 516 HH11 ARG 71 2HH2 ARG 71 6.109 -10.401 7.840 517 HH12 ARG 71 1HH2 ARG 71 5.957 -12.114 7.634 518 HH21 ARG 71 2HH1 ARG 71 6.084 -12.002 4.116 519 HH22 ARG 71 1HH1 ARG 71 5.943 -13.031 5.502 520 H PHE 72 H PHE 72 8.333 -7.569 1.124 521 HA PHE 72 HA PHE 72 5.772 -7.751 -0.102 522 HB2 PHE 72 1HB PHE 72 8.651 -8.567 -0.571 523 HB3 PHE 72 2HB PHE 72 7.446 -9.453 -1.483 524 HD1 PHE 72 1HD PHE 72 9.035 -6.196 -0.989 525 HD2 PHE 72 2HD PHE 72 6.146 -8.361 -3.220 526 HE1 PHE 72 1HE PHE 72 8.956 -4.345 -2.682 527 HE2 PHE 72 2HE PHE 72 6.067 -6.510 -4.913 528 HZ PHE 72 HZ PHE 72 7.473 -4.524 -4.624 529 H ILE 73 H ILE 73 4.295 -9.036 1.000 530 HA ILE 73 HA ILE 73 4.849 -11.287 2.449 531 HB ILE 73 HB ILE 73 2.379 -10.683 0.819 532 HG12 ILE 73 1HG1 ILE 73 3.314 -9.749 3.531 533 HG13 ILE 73 2HG1 ILE 73 2.753 -8.792 2.174 534 HG21 ILE 73 1HG2 ILE 73 1.241 -12.297 1.961 535 HG22 ILE 73 2HG2 ILE 73 2.850 -13.056 1.905 536 HG23 ILE 73 3HG2 ILE 73 2.313 -12.216 3.380 537 HD11 ILE 73 1HD1 ILE 73 1.017 -10.743 3.756 538 HD12 ILE 73 2HD1 ILE 73 1.027 -8.976 3.967 539 HD13 ILE 73 3HD1 ILE 73 0.465 -9.687 2.435 540 H SER 74 H SER 74 3.397 -11.400 -0.880 541 HA SER 74 HA SER 74 5.320 -13.418 -1.569 542 HB2 SER 74 1HB SER 74 2.375 -13.967 -1.184 543 HB3 SER 74 2HB SER 74 3.230 -14.818 -2.455 544 HG SER 74 HG SER 74 3.148 -15.850 -0.239 545 H GLY 75 H GLY 75 6.096 -12.349 -3.378 546 HA2 GLY 75 1HA GLY 75 4.355 -10.807 -5.071 547 HA3 GLY 75 2HA GLY 75 6.070 -11.104 -5.277 548 HA PRO 76 HA PRO 76 3.895 -13.641 -8.360 549 HB2 PRO 76 1HB PRO 76 5.117 -12.652 -10.595 550 HB3 PRO 76 2HB PRO 76 3.575 -12.064 -10.007 551 HG2 PRO 76 1HG PRO 76 6.235 -10.788 -9.829 552 HG3 PRO 76 2HG PRO 76 4.653 -10.058 -9.642 553 HD2 PRO 76 1HD PRO 76 6.487 -10.738 -7.544 554 HD3 PRO 76 2HD PRO 76 4.860 -10.116 -7.353 555 H SER 77 H SER 77 5.158 -15.184 -7.006 556 HA SER 77 HA SER 77 6.730 -16.678 -6.784 557 HB2 SER 77 1HB SER 77 5.901 -16.728 -9.608 558 HB3 SER 77 2HB SER 77 7.504 -17.401 -9.386 559 HG SER 77 HG SER 77 5.071 -18.215 -8.044 560 H SER 78 H SER 78 8.485 -15.558 -5.847 561 HA SER 78 HA SER 78 10.710 -15.211 -7.599 562 HB2 SER 78 1HB SER 78 9.148 -12.908 -6.647 563 HB3 SER 78 2HB SER 78 10.823 -12.808 -6.140 564 HG SER 78 HG SER 78 10.046 -13.379 -8.867 565 H GLY 79 H GLY 79 12.753 -14.725 -6.274 566 HA2 GLY 79 1HA GLY 79 14.015 -14.867 -4.384 567 HA3 GLY 79 2HA GLY 79 12.567 -15.038 -3.412 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -20.541 0.096 2.881 2 HA2 GLY 1 1HA GLY 1 -19.673 -0.008 0.764 3 HA3 GLY 1 2HA GLY 1 -19.121 -1.545 1.400 4 H SER 2 H SER 2 -20.348 -3.521 0.931 5 HA SER 2 HA SER 2 -21.443 -4.871 -0.367 6 HB2 SER 2 1HB SER 2 -23.234 -2.548 -0.166 7 HB3 SER 2 2HB SER 2 -23.482 -3.427 -1.662 8 HG SER 2 HG SER 2 -24.567 -4.865 -0.521 9 H SER 3 H SER 3 -22.041 -5.352 -2.763 10 HA SER 3 HA SER 3 -21.502 -5.373 -4.864 11 HB2 SER 3 1HB SER 3 -21.416 -2.411 -4.327 12 HB3 SER 3 2HB SER 3 -20.788 -2.981 -5.860 13 HG SER 3 HG SER 3 -22.909 -4.178 -6.063 14 H GLY 4 H GLY 4 -19.651 -6.036 -5.982 15 HA2 GLY 4 1HA GLY 4 -17.082 -5.353 -4.704 16 HA3 GLY 4 2HA GLY 4 -17.436 -6.810 -5.612 17 H SER 5 H SER 5 -18.026 -6.505 -8.006 18 HA SER 5 HA SER 5 -17.319 -4.077 -9.223 19 HB2 SER 5 1HB SER 5 -15.189 -6.070 -8.795 20 HB3 SER 5 2HB SER 5 -15.387 -5.665 -10.488 21 HG SER 5 HG SER 5 -14.683 -3.959 -8.291 22 H SER 6 H SER 6 -17.694 -4.170 -11.580 23 HA SER 6 HA SER 6 -18.680 -6.720 -12.523 24 HB2 SER 6 1HB SER 6 -20.415 -4.632 -11.677 25 HB3 SER 6 2HB SER 6 -20.447 -4.583 -13.428 26 HG SER 6 HG SER 6 -20.619 -7.158 -12.248 27 H GLY 7 H GLY 7 -17.994 -7.088 -14.619 28 HA2 GLY 7 1HA GLY 7 -17.835 -5.141 -16.625 29 HA3 GLY 7 2HA GLY 7 -16.252 -5.281 -15.887 30 H TRP 8 H TRP 8 -18.907 -7.194 -17.413 31 HA TRP 8 HA TRP 8 -18.882 -9.024 -18.658 32 HB2 TRP 8 1HB TRP 8 -16.349 -7.711 -19.283 33 HB3 TRP 8 2HB TRP 8 -16.293 -9.443 -19.544 34 HD1 TRP 8 HD TRP 8 -17.484 -10.334 -21.737 35 HE1 TRP 8 1HE TRP 8 -18.870 -9.314 -23.738 36 HE3 TRP 8 3HE TRP 8 -18.106 -5.737 -19.654 37 HZ2 TRP 8 2HZ TRP 8 -20.045 -6.758 -24.214 38 HZ3 TRP 8 3HZ TRP 8 -19.386 -4.037 -20.952 39 HH2 TRP 8 HH TRP 8 -20.339 -4.487 -23.158 40 H GLN 9 H GLN 9 -18.795 -9.391 -15.905 41 HA GLN 9 HA GLN 9 -18.405 -10.880 -14.375 42 HB2 GLN 9 1HB GLN 9 -18.583 -12.364 -16.692 43 HB3 GLN 9 2HB GLN 9 -17.025 -12.887 -16.085 44 HG2 GLN 9 1HG GLN 9 -19.426 -12.766 -14.230 45 HG3 GLN 9 2HG GLN 9 -19.196 -14.144 -15.287 46 HE21 GLN 9 1HE2 GLN 9 -18.533 -12.832 -12.316 47 HE22 GLN 9 2HE2 GLN 9 -17.202 -13.819 -11.813 48 H GLY 10 H GLY 10 -16.795 -9.326 -13.515 49 HA2 GLY 10 1HA GLY 10 -14.736 -8.693 -12.837 50 HA3 GLY 10 2HA GLY 10 -14.490 -10.412 -12.599 51 H LEU 11 H LEU 11 -14.019 -7.662 -14.828 52 HA LEU 11 HA LEU 11 -11.777 -9.092 -15.986 53 HB2 LEU 11 1HB LEU 11 -13.953 -9.466 -17.335 54 HB3 LEU 11 2HB LEU 11 -13.764 -7.795 -17.828 55 HG LEU 11 HG LEU 11 -11.508 -8.345 -18.733 56 HD11 LEU 11 1HD1 LEU 11 -10.523 -10.189 -17.959 57 HD12 LEU 11 2HD1 LEU 11 -12.064 -10.889 -17.410 58 HD13 LEU 11 3HD1 LEU 11 -11.552 -11.083 -19.103 59 HD21 LEU 11 1HD2 LEU 11 -12.292 -9.281 -20.759 60 HD22 LEU 11 2HD2 LEU 11 -13.629 -10.126 -19.942 61 HD23 LEU 11 3HD2 LEU 11 -13.650 -8.352 -20.081 62 H SER 12 H SER 12 -10.155 -7.738 -15.411 63 HA SER 12 HA SER 12 -10.460 -4.990 -16.252 64 HB2 SER 12 1HB SER 12 -9.430 -4.207 -14.075 65 HB3 SER 12 2HB SER 12 -11.066 -4.816 -13.927 66 HG SER 12 HG SER 12 -9.658 -6.978 -13.542 67 H SER 13 H SER 13 -8.198 -3.833 -16.056 68 HA SER 13 HA SER 13 -6.302 -5.700 -17.141 69 HB2 SER 13 1HB SER 13 -6.626 -2.712 -17.099 70 HB3 SER 13 2HB SER 13 -5.002 -3.338 -17.296 71 HG SER 13 HG SER 13 -5.571 -3.457 -19.367 72 H LYS 14 H LYS 14 -6.319 -3.057 -14.630 73 HA LYS 14 HA LYS 14 -3.856 -3.920 -13.522 74 HB2 LYS 14 1HB LYS 14 -5.710 -1.721 -13.221 75 HB3 LYS 14 2HB LYS 14 -5.247 -2.332 -11.646 76 HG2 LYS 14 1HG LYS 14 -3.524 -0.795 -12.094 77 HG3 LYS 14 2HG LYS 14 -2.796 -2.308 -12.595 78 HD2 LYS 14 1HD LYS 14 -2.407 -1.309 -14.600 79 HD3 LYS 14 2HD LYS 14 -4.122 -1.491 -14.912 80 HE2 LYS 14 1HE LYS 14 -4.449 0.755 -14.807 81 HE3 LYS 14 2HE LYS 14 -3.697 0.845 -13.227 82 HZ1 LYS 14 1HZ LYS 14 -2.565 2.084 -15.035 83 HZ2 LYS 14 2HZ LYS 14 -1.596 1.059 -14.212 84 HZ3 LYS 14 3HZ LYS 14 -2.133 0.657 -15.701 85 H GLY 15 H GLY 15 -4.351 -6.251 -13.315 86 HA2 GLY 15 1HA GLY 15 -5.874 -6.775 -10.833 87 HA3 GLY 15 2HA GLY 15 -5.958 -7.816 -12.240 88 H ASP 16 H ASP 16 -5.200 -9.017 -9.910 89 HA ASP 16 HA ASP 16 -3.599 -10.014 -8.799 90 HB2 ASP 16 1HB ASP 16 -2.072 -10.333 -11.394 91 HB3 ASP 16 2HB ASP 16 -2.310 -11.510 -10.117 92 H LEU 17 H LEU 17 -2.858 -7.857 -7.849 93 HA LEU 17 HA LEU 17 -0.251 -7.053 -8.937 94 HB2 LEU 17 1HB LEU 17 -2.453 -5.533 -7.585 95 HB3 LEU 17 2HB LEU 17 -0.800 -4.961 -7.481 96 HG LEU 17 HG LEU 17 -2.389 -5.395 -10.024 97 HD11 LEU 17 1HD1 LEU 17 -2.582 -3.070 -10.212 98 HD12 LEU 17 2HD1 LEU 17 -2.933 -3.406 -8.500 99 HD13 LEU 17 3HD1 LEU 17 -1.339 -2.771 -8.974 100 HD21 LEU 17 1HD2 LEU 17 -0.329 -4.087 -10.971 101 HD22 LEU 17 2HD2 LEU 17 0.506 -4.772 -9.555 102 HD23 LEU 17 3HD2 LEU 17 -0.253 -5.852 -10.750 103 HA PRO 18 HA PRO 18 1.574 -8.281 -5.225 104 HB2 PRO 18 1HB PRO 18 3.614 -6.493 -4.897 105 HB3 PRO 18 2HB PRO 18 3.696 -7.847 -6.006 106 HG2 PRO 18 1HG PRO 18 3.297 -4.980 -6.608 107 HG3 PRO 18 2HG PRO 18 3.800 -6.268 -7.684 108 HD2 PRO 18 1HD PRO 18 1.198 -5.070 -7.540 109 HD3 PRO 18 2HD PRO 18 1.670 -6.434 -8.534 110 H GLN 19 H GLN 19 1.925 -7.987 -2.940 111 HA GLN 19 HA GLN 19 0.736 -5.500 -2.034 112 HB2 GLN 19 1HB GLN 19 -0.298 -8.274 -1.577 113 HB3 GLN 19 2HB GLN 19 -0.320 -7.200 -0.192 114 HG2 GLN 19 1HG GLN 19 -1.616 -5.521 -1.450 115 HG3 GLN 19 2HG GLN 19 -1.492 -6.473 -2.917 116 HE21 GLN 19 1HE2 GLN 19 -3.192 -7.613 -3.404 117 HE22 GLN 19 2HE2 GLN 19 -4.354 -8.296 -2.317 118 H VAL 20 H VAL 20 1.444 -4.825 0.092 119 HA VAL 20 HA VAL 20 3.502 -6.508 1.301 120 HB VAL 20 HB VAL 20 5.048 -4.684 1.451 121 HG11 VAL 20 1HG1 VAL 20 5.893 -4.948 -0.631 122 HG12 VAL 20 2HG1 VAL 20 4.525 -6.069 -0.832 123 HG13 VAL 20 3HG1 VAL 20 4.399 -4.395 -1.424 124 HG21 VAL 20 1HG2 VAL 20 3.303 -2.928 -0.268 125 HG22 VAL 20 2HG2 VAL 20 3.118 -2.939 1.503 126 HG23 VAL 20 3HG2 VAL 20 4.677 -2.484 0.774 127 H GLU 21 H GLU 21 3.593 -6.349 3.556 128 HA GLU 21 HA GLU 21 1.403 -4.795 4.661 129 HB2 GLU 21 1HB GLU 21 1.193 -7.087 5.271 130 HB3 GLU 21 2HB GLU 21 2.907 -7.255 5.598 131 HG2 GLU 21 1HG GLU 21 2.686 -5.711 7.556 132 HG3 GLU 21 2HG GLU 21 0.973 -5.539 7.228 133 H ILE 22 H ILE 22 1.873 -2.892 5.667 134 HA ILE 22 HA ILE 22 4.506 -2.032 6.025 135 HB ILE 22 HB ILE 22 1.971 -0.982 7.286 136 HG12 ILE 22 1HG1 ILE 22 1.460 -0.965 5.024 137 HG13 ILE 22 2HG1 ILE 22 2.135 0.632 5.278 138 HG21 ILE 22 1HG2 ILE 22 3.265 0.527 8.266 139 HG22 ILE 22 2HG2 ILE 22 4.716 -0.181 7.518 140 HG23 ILE 22 3HG2 ILE 22 3.799 1.082 6.662 141 HD11 ILE 22 1HD1 ILE 22 3.320 -0.023 3.382 142 HD12 ILE 22 2HD1 ILE 22 4.434 -0.581 4.653 143 HD13 ILE 22 3HD1 ILE 22 3.339 -1.738 3.858 144 H THR 23 H THR 23 5.955 -2.221 7.677 145 HA THR 23 HA THR 23 5.121 -3.893 9.918 146 HB THR 23 HB THR 23 7.461 -4.369 10.117 147 HG1 THR 23 1HG THR 23 7.772 -2.017 8.388 148 HG21 THR 23 1HG2 THR 23 6.384 -4.924 7.737 149 HG22 THR 23 2HG2 THR 23 7.460 -3.621 7.178 150 HG23 THR 23 3HG2 THR 23 8.144 -5.065 7.964 151 H LYS 24 H LYS 24 5.790 -0.555 9.114 152 HA LYS 24 HA LYS 24 5.212 0.129 11.867 153 HB2 LYS 24 1HB LYS 24 7.146 1.599 12.101 154 HB3 LYS 24 2HB LYS 24 7.641 -0.069 11.899 155 HG2 LYS 24 1HG LYS 24 7.511 0.891 9.260 156 HG3 LYS 24 2HG LYS 24 8.147 2.256 10.155 157 HD2 LYS 24 1HD LYS 24 9.643 0.236 11.255 158 HD3 LYS 24 2HD LYS 24 9.375 -0.426 9.655 159 HE2 LYS 24 1HE LYS 24 11.302 0.832 9.261 160 HE3 LYS 24 2HE LYS 24 10.076 2.009 8.837 161 HZ1 LYS 24 1HZ LYS 24 11.953 2.136 10.891 162 HZ2 LYS 24 2HZ LYS 24 10.891 3.282 10.414 163 HZ3 LYS 24 3HZ LYS 24 10.462 2.196 11.556 164 H ALA 25 H ALA 25 4.324 2.252 12.080 165 HA ALA 25 HA ALA 25 2.823 3.084 9.896 166 HB1 ALA 25 1HB ALA 25 1.952 4.627 11.376 167 HB2 ALA 25 2HB ALA 25 2.704 3.501 12.532 168 HB3 ALA 25 3HB ALA 25 3.540 5.007 12.085 169 H PHE 26 H PHE 26 3.207 4.441 8.191 170 HA PHE 26 HA PHE 26 5.822 5.774 8.202 171 HB2 PHE 26 1HB PHE 26 5.712 4.096 6.451 172 HB3 PHE 26 2HB PHE 26 4.029 4.449 6.111 173 HD1 PHE 26 1HD PHE 26 7.189 6.454 6.198 174 HD2 PHE 26 2HD PHE 26 3.710 5.358 4.030 175 HE1 PHE 26 1HE PHE 26 7.886 7.963 4.317 176 HE2 PHE 26 2HE PHE 26 4.406 6.868 2.149 177 HZ PHE 26 HZ PHE 26 6.486 8.152 2.315 178 H PHE 27 H PHE 27 4.995 7.703 9.237 179 HA PHE 27 HA PHE 27 2.727 9.049 8.315 180 HB2 PHE 27 1HB PHE 27 5.326 10.063 9.617 181 HB3 PHE 27 2HB PHE 27 3.804 10.932 9.628 182 HD1 PHE 27 1HD PHE 27 1.819 9.012 10.377 183 HD2 PHE 27 2HD PHE 27 5.822 9.342 11.745 184 HE1 PHE 27 1HE PHE 27 1.181 7.870 12.519 185 HE2 PHE 27 2HE PHE 27 5.185 8.200 13.887 186 HZ PHE 27 HZ PHE 27 2.872 7.477 14.249 187 H ALA 28 H ALA 28 2.596 9.451 6.105 188 HA ALA 28 HA ALA 28 4.702 10.129 4.462 189 HB1 ALA 28 1HB ALA 28 2.822 9.560 3.274 190 HB2 ALA 28 2HB ALA 28 1.722 10.367 4.417 191 HB3 ALA 28 3HB ALA 28 2.629 11.329 3.225 192 H LYS 29 H LYS 29 5.652 12.077 3.788 193 HA LYS 29 HA LYS 29 4.987 14.365 5.504 194 HB2 LYS 29 1HB LYS 29 7.269 15.037 5.382 195 HB3 LYS 29 2HB LYS 29 7.248 13.340 5.815 196 HG2 LYS 29 1HG LYS 29 7.295 13.760 2.888 197 HG3 LYS 29 2HG LYS 29 8.679 14.476 3.691 198 HD2 LYS 29 1HD LYS 29 8.109 11.814 4.782 199 HD3 LYS 29 2HD LYS 29 8.311 11.741 3.043 200 HE2 LYS 29 1HE LYS 29 10.540 11.573 3.664 201 HE3 LYS 29 2HE LYS 29 10.425 13.318 3.560 202 HZ1 LYS 29 1HZ LYS 29 11.134 13.233 5.646 203 HZ2 LYS 29 2HZ LYS 29 9.602 12.840 6.053 204 HZ3 LYS 29 3HZ LYS 29 10.723 11.667 5.866 205 H GLN 30 H GLN 30 5.379 13.116 2.212 206 HA GLN 30 HA GLN 30 5.008 15.792 1.172 207 HB2 GLN 30 1HB GLN 30 5.856 13.145 -0.021 208 HB3 GLN 30 2HB GLN 30 5.242 14.404 -1.074 209 HG2 GLN 30 1HG GLN 30 7.290 15.277 0.929 210 HG3 GLN 30 2HG GLN 30 7.869 14.198 -0.325 211 HE21 GLN 30 1HE2 GLN 30 8.411 15.011 -2.208 212 HE22 GLN 30 2HE2 GLN 30 8.012 16.582 -2.818 213 H ALA 31 H ALA 31 3.558 15.462 -1.123 214 HA ALA 31 HA ALA 31 0.956 14.705 -0.047 215 HB1 ALA 31 1HB ALA 31 0.054 16.193 -1.627 216 HB2 ALA 31 2HB ALA 31 1.579 16.982 -1.158 217 HB3 ALA 31 3HB ALA 31 1.478 16.080 -2.689 218 H ASP 32 H ASP 32 3.502 13.328 -1.788 219 HA ASP 32 HA ASP 32 1.771 11.887 -3.583 220 HB2 ASP 32 1HB ASP 32 4.121 10.744 -4.075 221 HB3 ASP 32 2HB ASP 32 3.761 12.340 -4.701 222 H GLU 33 H GLU 33 3.467 11.626 -0.491 223 HA GLU 33 HA GLU 33 3.391 8.773 -0.460 224 HB2 GLU 33 1HB GLU 33 4.054 10.799 1.722 225 HB3 GLU 33 2HB GLU 33 4.250 9.065 1.886 226 HG2 GLU 33 1HG GLU 33 6.100 8.994 0.491 227 HG3 GLU 33 2HG GLU 33 5.512 10.282 -0.541 228 H VAL 34 H VAL 34 2.444 7.813 1.799 229 HA VAL 34 HA VAL 34 -0.074 9.110 2.446 230 HB VAL 34 HB VAL 34 -0.775 7.790 0.625 231 HG11 VAL 34 1HG1 VAL 34 -0.282 5.326 0.495 232 HG12 VAL 34 2HG1 VAL 34 1.132 6.381 0.259 233 HG13 VAL 34 3HG1 VAL 34 0.891 5.551 1.815 234 HG21 VAL 34 1HG2 VAL 34 -1.522 7.058 3.332 235 HG22 VAL 34 2HG2 VAL 34 -2.536 7.233 1.880 236 HG23 VAL 34 3HG2 VAL 34 -1.727 5.684 2.219 237 H THR 35 H THR 35 -0.650 8.791 4.582 238 HA THR 35 HA THR 35 1.331 7.703 6.292 239 HB THR 35 HB THR 35 -1.546 8.661 6.726 240 HG1 THR 35 1HG THR 35 1.091 9.801 7.297 241 HG21 THR 35 1HG2 THR 35 -0.986 8.876 9.074 242 HG22 THR 35 2HG2 THR 35 -0.556 7.208 8.624 243 HG23 THR 35 3HG2 THR 35 0.714 8.446 8.771 244 H LEU 36 H LEU 36 1.570 5.751 7.243 245 HA LEU 36 HA LEU 36 -0.628 3.850 6.864 246 HB2 LEU 36 1HB LEU 36 2.248 3.046 6.543 247 HB3 LEU 36 2HB LEU 36 0.801 2.157 6.109 248 HG LEU 36 HG LEU 36 1.516 4.748 4.736 249 HD11 LEU 36 1HD1 LEU 36 3.374 2.916 4.709 250 HD12 LEU 36 2HD1 LEU 36 2.288 2.095 3.563 251 HD13 LEU 36 3HD1 LEU 36 2.899 3.726 3.198 252 HD21 LEU 36 1HD2 LEU 36 -0.210 2.376 3.983 253 HD22 LEU 36 2HD2 LEU 36 -0.740 4.032 4.363 254 HD23 LEU 36 3HD2 LEU 36 0.199 3.715 2.884 255 H GLN 37 H GLN 37 -0.244 1.846 8.343 256 HA GLN 37 HA GLN 37 0.997 2.789 10.807 257 HB2 GLN 37 1HB GLN 37 -1.724 1.498 10.413 258 HB3 GLN 37 2HB GLN 37 -0.903 1.424 11.960 259 HG2 GLN 37 1HG GLN 37 -1.652 3.969 10.445 260 HG3 GLN 37 2HG GLN 37 -2.437 3.362 11.889 261 HE21 GLN 37 1HE2 GLN 37 -1.234 5.907 11.555 262 HE22 GLN 37 2HE2 GLN 37 0.075 6.063 12.679 263 H GLN 38 H GLN 38 1.061 0.693 12.423 264 HA GLN 38 HA GLN 38 2.782 -1.084 11.081 265 HB2 GLN 38 1HB GLN 38 3.200 -0.466 13.404 266 HB3 GLN 38 2HB GLN 38 1.634 -1.074 13.903 267 HG2 GLN 38 1HG GLN 38 2.285 -3.379 13.322 268 HG3 GLN 38 2HG GLN 38 3.803 -2.820 12.649 269 HE21 GLN 38 1HE2 GLN 38 5.272 -3.679 13.944 270 HE22 GLN 38 2HE2 GLN 38 5.394 -3.448 15.656 271 H ALA 39 H ALA 39 2.323 -3.001 10.071 272 HA ALA 39 HA ALA 39 1.253 -4.852 9.478 273 HB1 ALA 39 1HB ALA 39 -0.978 -5.052 11.236 274 HB2 ALA 39 2HB ALA 39 0.554 -5.955 11.304 275 HB3 ALA 39 3HB ALA 39 0.384 -4.425 12.196 276 H ASP 40 H ASP 40 0.782 -2.539 8.079 277 HA ASP 40 HA ASP 40 -2.108 -2.566 7.718 278 HB2 ASP 40 1HB ASP 40 0.041 -0.485 7.241 279 HB3 ASP 40 2HB ASP 40 -1.440 -0.407 6.307 280 H VAL 41 H VAL 41 -2.852 -3.453 5.770 281 HA VAL 41 HA VAL 41 -0.872 -4.382 3.891 282 HB VAL 41 HB VAL 41 -3.885 -4.643 3.894 283 HG11 VAL 41 1HG1 VAL 41 -3.239 -6.746 2.526 284 HG12 VAL 41 2HG1 VAL 41 -3.193 -5.160 1.719 285 HG13 VAL 41 3HG1 VAL 41 -1.682 -5.920 2.274 286 HG21 VAL 41 1HG2 VAL 41 -1.774 -6.531 4.991 287 HG22 VAL 41 2HG2 VAL 41 -2.936 -5.579 5.946 288 HG23 VAL 41 3HG2 VAL 41 -3.517 -6.874 4.871 289 H VAL 42 H VAL 42 -0.563 -3.641 1.787 290 HA VAL 42 HA VAL 42 -2.279 -1.449 0.909 291 HB VAL 42 HB VAL 42 0.717 -1.367 1.253 292 HG11 VAL 42 1HG1 VAL 42 -0.027 -0.609 -1.053 293 HG12 VAL 42 2HG1 VAL 42 -0.924 0.696 -0.242 294 HG13 VAL 42 3HG1 VAL 42 0.846 0.601 -0.082 295 HG21 VAL 42 1HG2 VAL 42 -0.862 -0.667 3.128 296 HG22 VAL 42 2HG2 VAL 42 0.339 0.540 2.611 297 HG23 VAL 42 3HG2 VAL 42 -1.353 0.684 2.078 298 H LEU 43 H LEU 43 -2.835 -1.654 -1.216 299 HA LEU 43 HA LEU 43 -1.667 -3.895 -2.631 300 HB2 LEU 43 1HB LEU 43 -4.106 -3.598 -2.465 301 HB3 LEU 43 2HB LEU 43 -3.979 -2.080 -3.332 302 HG LEU 43 HG LEU 43 -3.029 -3.349 -5.285 303 HD11 LEU 43 1HD1 LEU 43 -3.634 -5.681 -3.479 304 HD12 LEU 43 2HD1 LEU 43 -3.649 -5.852 -5.251 305 HD13 LEU 43 3HD1 LEU 43 -2.164 -5.331 -4.419 306 HD21 LEU 43 1HD2 LEU 43 -5.367 -4.580 -5.664 307 HD22 LEU 43 2HD2 LEU 43 -5.810 -3.592 -4.251 308 HD23 LEU 43 3HD2 LEU 43 -5.190 -2.810 -5.725 309 H VAL 44 H VAL 44 0.199 -3.558 -3.716 310 HA VAL 44 HA VAL 44 1.116 -1.014 -4.420 311 HB VAL 44 HB VAL 44 1.870 -3.767 -5.423 312 HG11 VAL 44 1HG1 VAL 44 3.520 -2.887 -6.670 313 HG12 VAL 44 2HG1 VAL 44 2.597 -1.368 -6.570 314 HG13 VAL 44 3HG1 VAL 44 3.934 -1.674 -5.435 315 HG21 VAL 44 1HG2 VAL 44 2.472 -2.230 -2.965 316 HG22 VAL 44 2HG2 VAL 44 2.494 -3.985 -3.261 317 HG23 VAL 44 3HG2 VAL 44 3.877 -2.981 -3.758 318 H LEU 45 H LEU 45 1.053 0.174 -6.335 319 HA LEU 45 HA LEU 45 -0.707 -0.946 -8.405 320 HB2 LEU 45 1HB LEU 45 -0.571 1.829 -7.246 321 HB3 LEU 45 2HB LEU 45 -1.263 1.518 -8.826 322 HG LEU 45 HG LEU 45 -2.245 0.027 -6.398 323 HD11 LEU 45 1HD1 LEU 45 -4.115 1.959 -6.654 324 HD12 LEU 45 2HD1 LEU 45 -2.763 2.028 -5.498 325 HD13 LEU 45 3HD1 LEU 45 -2.648 2.885 -7.054 326 HD21 LEU 45 1HD2 LEU 45 -3.886 -0.739 -7.719 327 HD22 LEU 45 2HD2 LEU 45 -4.101 0.827 -8.538 328 HD23 LEU 45 3HD2 LEU 45 -2.802 -0.276 -9.052 329 H GLN 46 H GLN 46 2.132 1.098 -7.576 330 HA GLN 46 HA GLN 46 3.179 0.420 -10.185 331 HB2 GLN 46 1HB GLN 46 2.413 3.139 -9.300 332 HB3 GLN 46 2HB GLN 46 4.060 3.042 -9.890 333 HG2 GLN 46 1HG GLN 46 3.389 2.743 -12.051 334 HG3 GLN 46 2HG GLN 46 2.201 1.533 -11.606 335 HE21 GLN 46 1HE2 GLN 46 0.126 2.161 -10.933 336 HE22 GLN 46 2HE2 GLN 46 -0.557 3.696 -11.353 337 H GLN 47 H GLN 47 5.222 -0.385 -9.946 338 HA GLN 47 HA GLN 47 6.522 0.181 -7.416 339 HB2 GLN 47 1HB GLN 47 6.530 -2.098 -9.347 340 HB3 GLN 47 2HB GLN 47 8.060 -1.770 -8.558 341 HG2 GLN 47 1HG GLN 47 6.664 -1.691 -6.338 342 HG3 GLN 47 2HG GLN 47 5.398 -2.469 -7.267 343 HE21 GLN 47 1HE2 GLN 47 8.937 -2.709 -6.891 344 HE22 GLN 47 2HE2 GLN 47 9.023 -4.432 -6.730 345 H GLU 48 H GLU 48 8.120 1.696 -7.364 346 HA GLU 48 HA GLU 48 9.627 2.051 -9.836 347 HB2 GLU 48 1HB GLU 48 7.900 3.923 -8.928 348 HB3 GLU 48 2HB GLU 48 9.293 4.378 -7.968 349 HG2 GLU 48 1HG GLU 48 10.564 4.137 -10.328 350 HG3 GLU 48 2HG GLU 48 8.956 4.420 -10.966 351 H ASP 49 H ASP 49 11.711 1.404 -9.532 352 HA ASP 49 HA ASP 49 12.839 0.547 -7.328 353 HB2 ASP 49 1HB ASP 49 13.736 1.170 -9.856 354 HB3 ASP 49 2HB ASP 49 14.652 2.324 -8.907 355 H GLY 50 H GLY 50 12.655 1.585 -5.307 356 HA2 GLY 50 1HA GLY 50 14.060 3.223 -4.045 357 HA3 GLY 50 2HA GLY 50 13.475 4.425 -5.179 358 H TRP 51 H TRP 51 10.748 3.542 -5.470 359 HA TRP 51 HA TRP 51 9.702 3.585 -2.748 360 HB2 TRP 51 1HB TRP 51 9.331 5.743 -4.798 361 HB3 TRP 51 2HB TRP 51 8.048 5.383 -3.661 362 HD1 TRP 51 HD TRP 51 11.802 6.445 -3.551 363 HE1 TRP 51 1HE TRP 51 12.296 7.881 -1.393 364 HE3 TRP 51 3HE TRP 51 7.165 5.954 -1.523 365 HZ2 TRP 51 2HZ TRP 51 10.728 8.633 0.870 366 HZ3 TRP 51 3HZ TRP 51 6.729 7.071 0.663 367 HH2 TRP 51 HH TRP 51 8.420 8.374 1.854 368 H LEU 52 H LEU 52 7.542 2.699 -2.645 369 HA LEU 52 HA LEU 52 6.715 1.422 -5.159 370 HB2 LEU 52 1HB LEU 52 6.173 0.259 -2.448 371 HB3 LEU 52 2HB LEU 52 6.125 -0.521 -4.016 372 HG LEU 52 HG LEU 52 8.031 -1.271 -2.683 373 HD11 LEU 52 1HD1 LEU 52 8.481 -1.533 -4.934 374 HD12 LEU 52 2HD1 LEU 52 8.523 0.220 -5.243 375 HD13 LEU 52 3HD1 LEU 52 9.872 -0.567 -4.388 376 HD21 LEU 52 1HD2 LEU 52 9.443 1.342 -2.924 377 HD22 LEU 52 2HD2 LEU 52 8.213 1.176 -1.649 378 HD23 LEU 52 3HD2 LEU 52 9.595 0.056 -1.702 379 H TYR 53 H TYR 53 4.683 1.874 -5.862 380 HA TYR 53 HA TYR 53 3.050 3.524 -4.080 381 HB2 TYR 53 1HB TYR 53 3.799 4.185 -6.475 382 HB3 TYR 53 2HB TYR 53 2.870 2.826 -7.077 383 HD1 TYR 53 1HD TYR 53 2.343 5.783 -4.813 384 HD2 TYR 53 2HD TYR 53 0.766 3.299 -7.919 385 HE1 TYR 53 1HE TYR 53 0.270 7.249 -4.943 386 HE2 TYR 53 2HE TYR 53 -1.301 4.774 -8.038 387 HH TYR 53 HH TYR 53 -1.574 7.664 -5.993 388 H GLY 54 H GLY 54 0.885 3.019 -3.597 389 HA2 GLY 54 1HA GLY 54 -0.449 0.790 -4.781 390 HA3 GLY 54 2HA GLY 54 0.203 0.384 -3.206 391 H GLU 55 H GLU 55 -2.338 0.151 -2.991 392 HA GLU 55 HA GLU 55 -3.288 2.729 -2.009 393 HB2 GLU 55 1HB GLU 55 -4.577 2.166 -3.988 394 HB3 GLU 55 2HB GLU 55 -4.838 0.526 -3.429 395 HG2 GLU 55 1HG GLU 55 -5.770 2.217 -1.327 396 HG3 GLU 55 2HG GLU 55 -6.362 2.935 -2.812 397 H ARG 56 H ARG 56 -3.802 2.771 0.147 398 HA ARG 56 HA ARG 56 -3.361 0.449 1.648 399 HB2 ARG 56 1HB ARG 56 -3.048 2.950 2.326 400 HB3 ARG 56 2HB ARG 56 -4.772 2.966 2.642 401 HG2 ARG 56 1HG ARG 56 -4.488 1.050 4.237 402 HG3 ARG 56 2HG ARG 56 -2.763 1.057 3.931 403 HD2 ARG 56 1HD ARG 56 -3.400 2.307 6.027 404 HD3 ARG 56 2HD ARG 56 -2.524 3.298 4.878 405 HE ARG 56 HE ARG 56 -5.388 3.484 4.444 406 HH11 ARG 56 2HH2 ARG 56 -2.780 4.646 6.500 407 HH12 ARG 56 1HH2 ARG 56 -3.597 6.113 6.926 408 HH21 ARG 56 2HH1 ARG 56 -6.467 5.418 5.005 409 HH22 ARG 56 1HH1 ARG 56 -5.709 6.555 6.070 410 H LEU 57 H LEU 57 -4.861 -1.217 1.245 411 HA LEU 57 HA LEU 57 -7.491 -0.984 0.636 412 HB2 LEU 57 1HB LEU 57 -6.127 -3.098 2.307 413 HB3 LEU 57 2HB LEU 57 -7.730 -3.256 1.618 414 HG LEU 57 HG LEU 57 -6.493 -4.384 0.062 415 HD11 LEU 57 1HD1 LEU 57 -6.558 -3.203 -1.926 416 HD12 LEU 57 2HD1 LEU 57 -7.658 -2.261 -0.891 417 HD13 LEU 57 3HD1 LEU 57 -5.995 -1.691 -1.173 418 HD21 LEU 57 1HD2 LEU 57 -4.245 -4.238 -0.322 419 HD22 LEU 57 2HD2 LEU 57 -4.204 -2.471 -0.106 420 HD23 LEU 57 3HD2 LEU 57 -4.321 -3.539 1.313 421 H ARG 58 H ARG 58 -5.905 -0.333 3.708 422 HA ARG 58 HA ARG 58 -7.794 -0.744 5.523 423 HB2 ARG 58 1HB ARG 58 -5.585 0.289 6.002 424 HB3 ARG 58 2HB ARG 58 -6.084 1.776 5.220 425 HG2 ARG 58 1HG ARG 58 -8.005 1.899 6.928 426 HG3 ARG 58 2HG ARG 58 -7.237 0.570 7.774 427 HD2 ARG 58 1HD ARG 58 -5.510 1.886 8.565 428 HD3 ARG 58 2HD ARG 58 -5.405 2.825 7.090 429 HE ARG 58 HE ARG 58 -7.801 3.678 8.091 430 HH11 ARG 58 2HH2 ARG 58 -4.645 3.298 9.599 431 HH12 ARG 58 1HH2 ARG 58 -4.897 4.572 10.745 432 HH21 ARG 58 2HH1 ARG 58 -8.135 5.359 9.603 433 HH22 ARG 58 1HH1 ARG 58 -6.896 5.752 10.747 434 H ASP 59 H ASP 59 -7.448 2.442 3.774 435 HA ASP 59 HA ASP 59 -10.319 2.763 4.160 436 HB2 ASP 59 1HB ASP 59 -8.026 4.752 4.018 437 HB3 ASP 59 2HB ASP 59 -9.670 5.272 3.704 438 H GLY 60 H GLY 60 -7.559 2.640 1.956 439 HA2 GLY 60 1HA GLY 60 -8.010 2.018 -0.322 440 HA3 GLY 60 2HA GLY 60 -9.375 3.116 -0.327 441 H GLU 61 H GLU 61 -6.741 4.402 1.486 442 HA GLU 61 HA GLU 61 -6.413 6.494 -0.327 443 HB2 GLU 61 1HB GLU 61 -5.728 5.947 2.353 444 HB3 GLU 61 2HB GLU 61 -4.186 6.188 1.557 445 HG2 GLU 61 1HG GLU 61 -5.483 8.282 0.462 446 HG3 GLU 61 2HG GLU 61 -6.471 8.125 1.900 447 H THR 62 H THR 62 -5.035 6.768 -2.051 448 HA THR 62 HA THR 62 -3.041 4.641 -2.460 449 HB THR 62 HB THR 62 -4.020 6.423 -4.684 450 HG1 THR 62 1HG THR 62 -5.921 4.884 -4.712 451 HG21 THR 62 1HG2 THR 62 -4.309 3.909 -5.588 452 HG22 THR 62 2HG2 THR 62 -2.706 4.683 -5.567 453 HG23 THR 62 3HG2 THR 62 -3.165 3.550 -4.273 454 H GLY 63 H GLY 63 -1.024 5.198 -1.956 455 HA2 GLY 63 1HA GLY 63 -0.072 7.823 -2.852 456 HA3 GLY 63 2HA GLY 63 0.064 7.431 -1.149 457 H TRP 64 H TRP 64 2.457 7.834 -1.962 458 HA TRP 64 HA TRP 64 3.549 5.395 -3.142 459 HB2 TRP 64 1HB TRP 64 4.561 8.200 -2.791 460 HB3 TRP 64 2HB TRP 64 5.681 6.879 -3.060 461 HD1 TRP 64 HD TRP 64 3.069 8.977 -4.905 462 HE1 TRP 64 1HE TRP 64 3.107 8.517 -7.504 463 HE3 TRP 64 3HE TRP 64 6.203 4.979 -4.682 464 HZ2 TRP 64 2HZ TRP 64 4.415 6.576 -9.137 465 HZ3 TRP 64 3HZ TRP 64 6.810 3.858 -6.824 466 HH2 TRP 64 HH TRP 64 5.970 4.596 -8.998 467 H PHE 65 H PHE 65 4.391 3.847 -1.811 468 HA PHE 65 HA PHE 65 5.235 4.732 0.859 469 HB2 PHE 65 1HB PHE 65 4.179 2.738 1.731 470 HB3 PHE 65 2HB PHE 65 3.024 3.347 0.562 471 HD1 PHE 65 1HD PHE 65 5.851 0.943 0.871 472 HD2 PHE 65 2HD PHE 65 2.244 1.949 -1.125 473 HE1 PHE 65 1HE PHE 65 5.898 -1.263 -0.325 474 HE2 PHE 65 2HE PHE 65 2.291 -0.257 -2.321 475 HZ PHE 65 HZ PHE 65 4.117 -1.837 -1.907 476 HA PRO 66 HA PRO 66 8.956 2.800 -0.310 477 HB2 PRO 66 1HB PRO 66 10.303 3.041 2.056 478 HB3 PRO 66 2HB PRO 66 10.202 4.331 0.875 479 HG2 PRO 66 1HG PRO 66 8.779 4.063 3.452 480 HG3 PRO 66 2HG PRO 66 9.024 5.499 2.477 481 HD2 PRO 66 1HD PRO 66 6.614 3.958 2.688 482 HD3 PRO 66 2HD PRO 66 6.895 5.324 1.627 483 H GLU 67 H GLU 67 10.213 0.881 -0.125 484 HA GLU 67 HA GLU 67 8.572 -1.192 0.881 485 HB2 GLU 67 1HB GLU 67 10.635 -2.610 0.178 486 HB3 GLU 67 2HB GLU 67 9.752 -1.764 -1.077 487 HG2 GLU 67 1HG GLU 67 11.523 -0.408 -1.570 488 HG3 GLU 67 2HG GLU 67 11.854 -0.076 0.119 489 H ASP 68 H ASP 68 11.484 0.571 1.954 490 HA ASP 68 HA ASP 68 12.460 -1.141 3.804 491 HB2 ASP 68 1HB ASP 68 12.706 1.623 3.153 492 HB3 ASP 68 2HB ASP 68 12.380 1.579 4.875 493 H PHE 69 H PHE 69 9.411 0.592 3.733 494 HA PHE 69 HA PHE 69 8.994 0.057 6.586 495 HB2 PHE 69 1HB PHE 69 7.722 1.916 4.496 496 HB3 PHE 69 2HB PHE 69 7.010 1.692 6.081 497 HD1 PHE 69 1HD PHE 69 10.084 2.853 4.363 498 HD2 PHE 69 2HD PHE 69 7.787 2.918 7.930 499 HE1 PHE 69 1HE PHE 69 11.564 4.660 5.283 500 HE2 PHE 69 2HE PHE 69 9.266 4.725 8.850 501 HZ PHE 69 HZ PHE 69 11.137 5.574 7.515 502 H ALA 70 H ALA 70 8.802 -1.824 4.126 503 HA ALA 70 HA ALA 70 6.268 -2.956 4.921 504 HB1 ALA 70 1HB ALA 70 5.088 -2.351 3.109 505 HB2 ALA 70 2HB ALA 70 6.443 -1.311 2.608 506 HB3 ALA 70 3HB ALA 70 6.353 -2.994 2.035 507 H ARG 71 H ARG 71 6.002 -5.170 3.744 508 HA ARG 71 HA ARG 71 8.605 -6.219 3.041 509 HB2 ARG 71 1HB ARG 71 6.872 -7.059 5.358 510 HB3 ARG 71 2HB ARG 71 7.669 -8.341 4.467 511 HG2 ARG 71 1HG ARG 71 9.811 -6.753 4.723 512 HG3 ARG 71 2HG ARG 71 8.901 -6.092 6.067 513 HD2 ARG 71 1HD ARG 71 10.011 -7.808 7.179 514 HD3 ARG 71 2HD ARG 71 8.568 -8.678 6.697 515 HE ARG 71 HE ARG 71 10.607 -8.797 4.630 516 HH11 ARG 71 2HH2 ARG 71 9.637 -10.197 7.710 517 HH12 ARG 71 1HH2 ARG 71 10.455 -11.698 7.429 518 HH21 ARG 71 2HH1 ARG 71 11.685 -10.777 4.260 519 HH22 ARG 71 1HH1 ARG 71 11.627 -12.030 5.454 520 H PHE 72 H PHE 72 8.285 -7.032 0.990 521 HA PHE 72 HA PHE 72 5.846 -7.516 -0.156 522 HB2 PHE 72 1HB PHE 72 8.739 -8.296 -0.551 523 HB3 PHE 72 2HB PHE 72 7.578 -9.234 -1.470 524 HD1 PHE 72 1HD PHE 72 6.132 -8.111 -3.145 525 HD2 PHE 72 2HD PHE 72 9.231 -6.029 -1.129 526 HE1 PHE 72 1HE PHE 72 6.046 -6.301 -4.882 527 HE2 PHE 72 2HE PHE 72 9.145 -4.218 -2.865 528 HZ PHE 72 HZ PHE 72 7.553 -4.376 -4.721 529 H ILE 73 H ILE 73 4.333 -8.810 0.875 530 HA ILE 73 HA ILE 73 4.910 -11.102 2.308 531 HB ILE 73 HB ILE 73 2.401 -10.325 0.816 532 HG12 ILE 73 1HG1 ILE 73 3.367 -9.749 3.627 533 HG13 ILE 73 2HG1 ILE 73 3.025 -8.592 2.357 534 HG21 ILE 73 1HG2 ILE 73 2.768 -12.796 1.614 535 HG22 ILE 73 2HG2 ILE 73 2.428 -12.112 3.222 536 HG23 ILE 73 3HG2 ILE 73 1.224 -11.964 1.919 537 HD11 ILE 73 1HD1 ILE 73 1.195 -8.889 4.135 538 HD12 ILE 73 2HD1 ILE 73 0.660 -9.026 2.442 539 HD13 ILE 73 3HD1 ILE 73 0.898 -10.493 3.422 540 H SER 74 H SER 74 3.847 -10.759 -1.147 541 HA SER 74 HA SER 74 5.437 -13.035 -1.788 542 HB2 SER 74 1HB SER 74 2.503 -13.254 -1.454 543 HB3 SER 74 2HB SER 74 3.065 -13.822 -3.013 544 HG SER 74 HG SER 74 3.892 -15.560 -2.081 545 H GLY 75 H GLY 75 6.133 -12.898 -3.942 546 HA2 GLY 75 1HA GLY 75 4.835 -10.802 -5.581 547 HA3 GLY 75 2HA GLY 75 6.567 -11.061 -5.515 548 HA PRO 76 HA PRO 76 5.281 -13.553 -9.004 549 HB2 PRO 76 1HB PRO 76 7.429 -12.995 -10.599 550 HB3 PRO 76 2HB PRO 76 5.946 -12.063 -10.629 551 HG2 PRO 76 1HG PRO 76 8.558 -11.351 -9.443 552 HG3 PRO 76 2HG PRO 76 7.218 -10.300 -9.858 553 HD2 PRO 76 1HD PRO 76 7.948 -11.194 -7.232 554 HD3 PRO 76 2HD PRO 76 6.542 -10.240 -7.662 555 H SER 77 H SER 77 5.947 -15.570 -9.907 556 HA SER 77 HA SER 77 8.134 -16.635 -8.297 557 HB2 SER 77 1HB SER 77 6.137 -17.743 -7.596 558 HB3 SER 77 2HB SER 77 5.537 -17.892 -9.236 559 HG SER 77 HG SER 77 7.987 -19.177 -8.422 560 H SER 78 H SER 78 9.941 -16.916 -9.552 561 HA SER 78 HA SER 78 9.955 -16.757 -12.271 562 HB2 SER 78 1HB SER 78 12.242 -17.912 -12.057 563 HB3 SER 78 2HB SER 78 12.013 -16.449 -11.121 564 HG SER 78 HG SER 78 12.226 -17.556 -9.294 565 H GLY 79 H GLY 79 10.314 -19.767 -10.244 566 HA2 GLY 79 1HA GLY 79 8.536 -21.344 -11.665 567 HA3 GLY 79 2HA GLY 79 10.087 -21.530 -12.459 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -18.900 13.953 8.016 2 HA2 GLY 1 1HA GLY 1 -16.788 12.677 7.266 3 HA3 GLY 1 2HA GLY 1 -17.237 11.587 8.563 4 H SER 2 H SER 2 -17.575 9.854 7.015 5 HA SER 2 HA SER 2 -18.756 8.588 5.709 6 HB2 SER 2 1HB SER 2 -21.090 8.504 6.005 7 HB3 SER 2 2HB SER 2 -20.538 9.288 7.472 8 HG SER 2 HG SER 2 -21.471 11.155 6.889 9 H SER 3 H SER 3 -18.328 8.647 3.535 10 HA SER 3 HA SER 3 -19.842 10.165 1.804 11 HB2 SER 3 1HB SER 3 -17.762 11.704 2.956 12 HB3 SER 3 2HB SER 3 -17.175 11.285 1.359 13 HG SER 3 HG SER 3 -18.505 12.739 0.544 14 H GLY 4 H GLY 4 -18.902 9.988 -0.534 15 HA2 GLY 4 1HA GLY 4 -17.126 8.917 -1.838 16 HA3 GLY 4 2HA GLY 4 -17.180 7.585 -0.700 17 H SER 5 H SER 5 -18.880 9.248 -3.354 18 HA SER 5 HA SER 5 -20.170 6.778 -3.977 19 HB2 SER 5 1HB SER 5 -22.456 7.833 -4.118 20 HB3 SER 5 2HB SER 5 -21.858 7.648 -2.481 21 HG SER 5 HG SER 5 -22.686 9.743 -2.636 22 H SER 6 H SER 6 -19.890 6.562 -6.166 23 HA SER 6 HA SER 6 -20.510 8.727 -7.878 24 HB2 SER 6 1HB SER 6 -17.649 8.063 -7.267 25 HB3 SER 6 2HB SER 6 -18.043 8.357 -8.949 26 HG SER 6 HG SER 6 -18.273 10.138 -6.705 27 H GLY 7 H GLY 7 -18.479 5.704 -7.709 28 HA2 GLY 7 1HA GLY 7 -19.533 3.679 -8.600 29 HA3 GLY 7 2HA GLY 7 -20.087 4.640 -9.956 30 H TRP 8 H TRP 8 -18.545 2.320 -10.371 31 HA TRP 8 HA TRP 8 -15.954 3.464 -11.164 32 HB2 TRP 8 1HB TRP 8 -16.667 0.642 -10.355 33 HB3 TRP 8 2HB TRP 8 -15.152 1.088 -11.115 34 HD1 TRP 8 HD TRP 8 -17.117 2.250 -7.927 35 HE1 TRP 8 1HE TRP 8 -15.446 2.717 -5.939 36 HE3 TRP 8 3HE TRP 8 -12.883 1.254 -10.560 37 HZ2 TRP 8 2HZ TRP 8 -12.604 2.620 -5.697 38 HZ3 TRP 8 3HZ TRP 8 -10.701 1.464 -9.373 39 HH2 TRP 8 HH TRP 8 -10.520 2.120 -7.026 40 H GLN 9 H GLN 9 -18.217 0.727 -11.988 41 HA GLN 9 HA GLN 9 -18.966 -0.021 -13.882 42 HB2 GLN 9 1HB GLN 9 -19.416 2.716 -13.993 43 HB3 GLN 9 2HB GLN 9 -18.598 2.425 -15.515 44 HG2 GLN 9 1HG GLN 9 -20.630 0.363 -14.919 45 HG3 GLN 9 2HG GLN 9 -21.317 1.974 -14.991 46 HE21 GLN 9 1HE2 GLN 9 -20.253 -0.690 -16.728 47 HE22 GLN 9 2HE2 GLN 9 -20.245 -0.032 -18.330 48 H GLY 10 H GLY 10 -16.901 -1.302 -13.912 49 HA2 GLY 10 1HA GLY 10 -15.462 -2.292 -15.407 50 HA3 GLY 10 2HA GLY 10 -15.538 -0.884 -16.448 51 H LEU 11 H LEU 11 -13.803 -2.503 -13.894 52 HA LEU 11 HA LEU 11 -12.341 -0.253 -12.976 53 HB2 LEU 11 1HB LEU 11 -12.797 -2.726 -12.034 54 HB3 LEU 11 2HB LEU 11 -11.222 -2.991 -12.755 55 HG LEU 11 HG LEU 11 -11.521 -0.604 -10.993 56 HD11 LEU 11 1HD1 LEU 11 -12.652 -2.016 -9.538 57 HD12 LEU 11 2HD1 LEU 11 -11.714 -3.447 -10.031 58 HD13 LEU 11 3HD1 LEU 11 -10.956 -2.189 -9.025 59 HD21 LEU 11 1HD2 LEU 11 -9.231 -1.331 -10.298 60 HD22 LEU 11 2HD2 LEU 11 -9.345 -2.650 -11.488 61 HD23 LEU 11 3HD2 LEU 11 -9.394 -0.955 -12.030 62 H SER 12 H SER 12 -11.376 -3.091 -15.040 63 HA SER 12 HA SER 12 -9.946 -3.275 -16.661 64 HB2 SER 12 1HB SER 12 -10.802 -0.434 -16.938 65 HB3 SER 12 2HB SER 12 -9.295 -0.828 -17.740 66 HG SER 12 HG SER 12 -11.880 -2.061 -18.136 67 H SER 13 H SER 13 -7.606 -2.549 -17.429 68 HA SER 13 HA SER 13 -5.511 -2.358 -16.893 69 HB2 SER 13 1HB SER 13 -6.800 0.028 -15.773 70 HB3 SER 13 2HB SER 13 -5.339 -0.374 -14.892 71 HG SER 13 HG SER 13 -4.098 -0.119 -16.722 72 H LYS 14 H LYS 14 -3.819 -2.433 -14.977 73 HA LYS 14 HA LYS 14 -3.052 -3.499 -13.204 74 HB2 LYS 14 1HB LYS 14 -5.799 -2.900 -12.069 75 HB3 LYS 14 2HB LYS 14 -4.452 -3.515 -11.133 76 HG2 LYS 14 1HG LYS 14 -4.345 -0.932 -12.760 77 HG3 LYS 14 2HG LYS 14 -4.728 -0.988 -11.051 78 HD2 LYS 14 1HD LYS 14 -2.541 -1.247 -10.460 79 HD3 LYS 14 2HD LYS 14 -2.284 -2.510 -11.648 80 HE2 LYS 14 1HE LYS 14 -0.856 -0.761 -12.383 81 HE3 LYS 14 2HE LYS 14 -2.257 -0.608 -13.425 82 HZ1 LYS 14 1HZ LYS 14 -2.991 1.217 -12.266 83 HZ2 LYS 14 2HZ LYS 14 -2.136 0.878 -10.916 84 HZ3 LYS 14 3HZ LYS 14 -1.374 1.445 -12.244 85 H GLY 15 H GLY 15 -2.752 -5.632 -12.505 86 HA2 GLY 15 1HA GLY 15 -4.767 -7.545 -13.527 87 HA3 GLY 15 2HA GLY 15 -3.035 -7.807 -13.582 88 H ASP 16 H ASP 16 -1.903 -8.508 -11.726 89 HA ASP 16 HA ASP 16 -3.618 -8.956 -9.411 90 HB2 ASP 16 1HB ASP 16 -1.619 -10.753 -10.802 91 HB3 ASP 16 2HB ASP 16 -1.863 -10.943 -9.077 92 H LEU 17 H LEU 17 -2.242 -6.583 -9.501 93 HA LEU 17 HA LEU 17 0.371 -6.366 -8.976 94 HB2 LEU 17 1HB LEU 17 -2.035 -4.926 -7.950 95 HB3 LEU 17 2HB LEU 17 -0.468 -4.537 -7.267 96 HG LEU 17 HG LEU 17 -1.422 -3.179 -9.289 97 HD11 LEU 17 1HD1 LEU 17 0.929 -2.801 -10.111 98 HD12 LEU 17 2HD1 LEU 17 0.696 -2.650 -8.353 99 HD13 LEU 17 3HD1 LEU 17 1.441 -4.118 -9.029 100 HD21 LEU 17 1HD2 LEU 17 -0.684 -4.000 -11.477 101 HD22 LEU 17 2HD2 LEU 17 -0.158 -5.527 -10.730 102 HD23 LEU 17 3HD2 LEU 17 -1.883 -5.087 -10.737 103 HA PRO 18 HA PRO 18 1.228 -8.488 -5.317 104 HB2 PRO 18 1HB PRO 18 3.520 -7.244 -4.498 105 HB3 PRO 18 2HB PRO 18 3.490 -8.469 -5.751 106 HG2 PRO 18 1HG PRO 18 3.796 -5.542 -6.029 107 HG3 PRO 18 2HG PRO 18 4.182 -6.801 -7.185 108 HD2 PRO 18 1HD PRO 18 1.896 -5.068 -7.233 109 HD3 PRO 18 2HD PRO 18 2.223 -6.402 -8.322 110 H GLN 19 H GLN 19 2.191 -7.951 -2.897 111 HA GLN 19 HA GLN 19 0.829 -5.594 -1.986 112 HB2 GLN 19 1HB GLN 19 -0.154 -8.382 -1.466 113 HB3 GLN 19 2HB GLN 19 -0.201 -7.262 -0.119 114 HG2 GLN 19 1HG GLN 19 -1.481 -5.629 -1.515 115 HG3 GLN 19 2HG GLN 19 -1.428 -6.741 -2.869 116 HE21 GLN 19 1HE2 GLN 19 -3.294 -7.668 -3.170 117 HE22 GLN 19 2HE2 GLN 19 -4.371 -8.289 -1.963 118 H VAL 20 H VAL 20 1.589 -4.877 0.097 119 HA VAL 20 HA VAL 20 3.678 -6.538 1.291 120 HB VAL 20 HB VAL 20 5.169 -4.637 1.445 121 HG11 VAL 20 1HG1 VAL 20 6.065 -5.236 -0.509 122 HG12 VAL 20 2HG1 VAL 20 4.536 -6.054 -0.909 123 HG13 VAL 20 3HG1 VAL 20 4.801 -4.367 -1.411 124 HG21 VAL 20 1HG2 VAL 20 4.724 -2.488 0.729 125 HG22 VAL 20 2HG2 VAL 20 3.482 -3.013 -0.433 126 HG23 VAL 20 3HG2 VAL 20 3.117 -2.988 1.309 127 H GLU 21 H GLU 21 3.808 -6.370 3.544 128 HA GLU 21 HA GLU 21 1.590 -4.892 4.686 129 HB2 GLU 21 1HB GLU 21 1.753 -7.321 5.181 130 HB3 GLU 21 2HB GLU 21 3.344 -7.085 5.877 131 HG2 GLU 21 1HG GLU 21 2.463 -5.751 7.694 132 HG3 GLU 21 2HG GLU 21 0.903 -5.587 6.913 133 H ILE 22 H ILE 22 1.928 -3.023 5.818 134 HA ILE 22 HA ILE 22 4.550 -1.995 6.046 135 HB ILE 22 HB ILE 22 1.976 -1.028 7.294 136 HG12 ILE 22 1HG1 ILE 22 1.809 -1.357 4.837 137 HG13 ILE 22 2HG1 ILE 22 1.637 0.314 5.337 138 HG21 ILE 22 1HG2 ILE 22 3.209 0.559 8.229 139 HG22 ILE 22 2HG2 ILE 22 4.685 -0.096 7.481 140 HG23 ILE 22 3HG2 ILE 22 3.702 1.102 6.607 141 HD11 ILE 22 1HD1 ILE 22 3.164 -0.114 3.313 142 HD12 ILE 22 2HD1 ILE 22 3.860 0.877 4.617 143 HD13 ILE 22 3HD1 ILE 22 4.318 -0.836 4.461 144 H THR 23 H THR 23 6.060 -2.449 7.548 145 HA THR 23 HA THR 23 5.338 -4.028 9.833 146 HB THR 23 HB THR 23 7.787 -4.056 10.163 147 HG1 THR 23 1HG THR 23 8.947 -2.594 8.544 148 HG21 THR 23 1HG2 THR 23 7.944 -3.945 7.221 149 HG22 THR 23 2HG2 THR 23 8.199 -5.334 8.305 150 HG23 THR 23 3HG2 THR 23 6.554 -4.911 7.772 151 H LYS 24 H LYS 24 5.936 -0.603 9.136 152 HA LYS 24 HA LYS 24 5.050 -0.016 11.830 153 HB2 LYS 24 1HB LYS 24 6.904 1.391 12.394 154 HB3 LYS 24 2HB LYS 24 7.526 -0.196 11.992 155 HG2 LYS 24 1HG LYS 24 7.331 1.595 9.641 156 HG3 LYS 24 2HG LYS 24 8.393 2.219 10.888 157 HD2 LYS 24 1HD LYS 24 9.261 -0.351 10.881 158 HD3 LYS 24 2HD LYS 24 8.661 -0.281 9.236 159 HE2 LYS 24 1HE LYS 24 10.417 0.997 8.553 160 HE3 LYS 24 2HE LYS 24 10.192 2.135 9.866 161 HZ1 LYS 24 1HZ LYS 24 11.392 -0.476 10.382 162 HZ2 LYS 24 2HZ LYS 24 12.302 0.749 9.799 163 HZ3 LYS 24 3HZ LYS 24 11.545 0.907 11.238 164 H ALA 25 H ALA 25 4.207 2.163 12.031 165 HA ALA 25 HA ALA 25 2.795 2.999 9.808 166 HB1 ALA 25 1HB ALA 25 2.287 3.487 12.213 167 HB2 ALA 25 2HB ALA 25 3.634 4.650 12.225 168 HB3 ALA 25 3HB ALA 25 2.224 4.932 11.175 169 H PHE 26 H PHE 26 3.103 4.590 8.226 170 HA PHE 26 HA PHE 26 5.817 5.710 8.158 171 HB2 PHE 26 1HB PHE 26 5.640 4.092 6.376 172 HB3 PHE 26 2HB PHE 26 3.946 4.450 6.105 173 HD1 PHE 26 1HD PHE 26 7.112 6.447 6.084 174 HD2 PHE 26 2HD PHE 26 3.546 5.381 4.047 175 HE1 PHE 26 1HE PHE 26 7.738 7.972 4.191 176 HE2 PHE 26 2HE PHE 26 4.171 6.905 2.153 177 HZ PHE 26 HZ PHE 26 6.260 8.183 2.248 178 H PHE 27 H PHE 27 4.986 7.620 9.296 179 HA PHE 27 HA PHE 27 2.804 9.088 8.476 180 HB2 PHE 27 1HB PHE 27 5.541 9.801 9.678 181 HB3 PHE 27 2HB PHE 27 4.258 10.988 9.550 182 HD1 PHE 27 2HD PHE 27 2.183 10.714 10.877 183 HD2 PHE 27 1HD PHE 27 5.497 8.111 11.370 184 HE1 PHE 27 2HE PHE 27 1.251 9.945 13.077 185 HE2 PHE 27 1HE PHE 27 4.565 7.341 13.570 186 HZ PHE 27 HZ PHE 27 2.453 8.268 14.397 187 H ALA 28 H ALA 28 2.382 9.875 6.465 188 HA ALA 28 HA ALA 28 4.441 10.344 4.586 189 HB1 ALA 28 1HB ALA 28 2.481 11.357 3.291 190 HB2 ALA 28 2HB ALA 28 2.292 9.661 3.799 191 HB3 ALA 28 3HB ALA 28 1.469 10.958 4.700 192 H LYS 29 H LYS 29 5.464 12.240 3.961 193 HA LYS 29 HA LYS 29 4.861 14.561 5.655 194 HB2 LYS 29 1HB LYS 29 7.138 15.151 5.586 195 HB3 LYS 29 2HB LYS 29 7.117 13.426 5.892 196 HG2 LYS 29 1HG LYS 29 8.537 13.241 4.122 197 HG3 LYS 29 2HG LYS 29 7.133 13.514 3.110 198 HD2 LYS 29 1HD LYS 29 7.867 15.573 2.476 199 HD3 LYS 29 2HD LYS 29 8.179 16.054 4.132 200 HE2 LYS 29 1HE LYS 29 10.395 15.201 4.107 201 HE3 LYS 29 2HE LYS 29 10.072 14.119 2.767 202 HZ1 LYS 29 1HZ LYS 29 11.308 16.331 2.390 203 HZ2 LYS 29 2HZ LYS 29 10.231 15.812 1.277 204 HZ3 LYS 29 3HZ LYS 29 9.812 16.982 2.336 205 H GLN 30 H GLN 30 5.347 13.311 2.350 206 HA GLN 30 HA GLN 30 4.924 15.978 1.315 207 HB2 GLN 30 1HB GLN 30 6.000 13.401 0.236 208 HB3 GLN 30 2HB GLN 30 5.162 14.426 -0.912 209 HG2 GLN 30 1HG GLN 30 6.943 16.034 0.759 210 HG3 GLN 30 2HG GLN 30 7.833 14.714 0.026 211 HE21 GLN 30 1HE2 GLN 30 5.453 17.245 -0.705 212 HE22 GLN 30 2HE2 GLN 30 5.997 17.609 -2.309 213 H ALA 31 H ALA 31 3.502 15.719 -0.964 214 HA ALA 31 HA ALA 31 0.904 14.880 0.041 215 HB1 ALA 31 1HB ALA 31 1.462 16.280 -2.583 216 HB2 ALA 31 2HB ALA 31 0.009 16.357 -1.557 217 HB3 ALA 31 3HB ALA 31 1.506 17.171 -1.043 218 H ASP 32 H ASP 32 3.501 13.550 -1.662 219 HA ASP 32 HA ASP 32 1.805 12.073 -3.469 220 HB2 ASP 32 1HB ASP 32 4.207 11.008 -3.958 221 HB3 ASP 32 2HB ASP 32 3.758 12.568 -4.620 222 H GLU 33 H GLU 33 3.413 11.886 -0.353 223 HA GLU 33 HA GLU 33 3.489 9.023 -0.341 224 HB2 GLU 33 1HB GLU 33 4.065 11.071 1.845 225 HB3 GLU 33 2HB GLU 33 4.322 9.346 2.011 226 HG2 GLU 33 1HG GLU 33 6.178 9.339 0.621 227 HG3 GLU 33 2HG GLU 33 5.553 10.612 -0.408 228 H VAL 34 H VAL 34 2.552 7.995 1.872 229 HA VAL 34 HA VAL 34 -0.007 9.206 2.533 230 HB VAL 34 HB VAL 34 -0.634 7.880 0.678 231 HG11 VAL 34 1HG1 VAL 34 0.977 5.620 1.912 232 HG12 VAL 34 2HG1 VAL 34 -0.074 5.470 0.484 233 HG13 VAL 34 3HG1 VAL 34 1.364 6.518 0.425 234 HG21 VAL 34 1HG2 VAL 34 -2.416 7.177 1.816 235 HG22 VAL 34 2HG2 VAL 34 -1.502 5.755 2.374 236 HG23 VAL 34 3HG2 VAL 34 -1.490 7.254 3.334 237 H THR 35 H THR 35 -0.664 8.740 4.640 238 HA THR 35 HA THR 35 1.381 7.652 6.330 239 HB THR 35 HB THR 35 -1.459 8.677 6.859 240 HG1 THR 35 1HG THR 35 -0.315 10.633 7.062 241 HG21 THR 35 1HG2 THR 35 -1.054 8.452 9.109 242 HG22 THR 35 2HG2 THR 35 0.200 7.280 8.637 243 HG23 THR 35 3HG2 THR 35 0.636 8.981 8.929 244 H LEU 36 H LEU 36 1.567 5.675 7.234 245 HA LEU 36 HA LEU 36 -0.712 3.866 6.854 246 HB2 LEU 36 1HB LEU 36 2.144 2.974 6.572 247 HB3 LEU 36 2HB LEU 36 0.679 2.119 6.134 248 HG LEU 36 HG LEU 36 1.436 4.685 4.746 249 HD11 LEU 36 1HD1 LEU 36 3.320 2.911 4.759 250 HD12 LEU 36 2HD1 LEU 36 2.256 2.003 3.659 251 HD13 LEU 36 3HD1 LEU 36 2.820 3.630 3.210 252 HD21 LEU 36 1HD2 LEU 36 -0.691 4.183 4.075 253 HD22 LEU 36 2HD2 LEU 36 0.238 3.268 2.864 254 HD23 LEU 36 3HD2 LEU 36 -0.464 2.428 4.267 255 H GLN 37 H GLN 37 -0.465 1.869 8.345 256 HA GLN 37 HA GLN 37 0.694 2.810 10.853 257 HB2 GLN 37 1HB GLN 37 -1.933 1.394 10.304 258 HB3 GLN 37 2HB GLN 37 -1.185 1.308 11.886 259 HG2 GLN 37 1HG GLN 37 -1.798 3.440 12.405 260 HG3 GLN 37 2HG GLN 37 -1.204 4.067 10.880 261 HE21 GLN 37 1HE2 GLN 37 -2.799 5.281 10.149 262 HE22 GLN 37 2HE2 GLN 37 -4.433 4.779 9.869 263 H GLN 38 H GLN 38 0.851 0.734 12.456 264 HA GLN 38 HA GLN 38 2.707 -0.944 11.176 265 HB2 GLN 38 1HB GLN 38 2.989 -0.302 13.518 266 HB3 GLN 38 2HB GLN 38 1.453 -1.026 13.952 267 HG2 GLN 38 1HG GLN 38 2.610 -3.204 12.824 268 HG3 GLN 38 2HG GLN 38 4.069 -2.361 13.305 269 HE21 GLN 38 1HE2 GLN 38 4.816 -3.100 15.129 270 HE22 GLN 38 2HE2 GLN 38 3.913 -3.531 16.543 271 H ALA 39 H ALA 39 2.439 -2.941 10.234 272 HA ALA 39 HA ALA 39 1.482 -4.819 9.555 273 HB1 ALA 39 1HB ALA 39 0.431 -4.428 12.247 274 HB2 ALA 39 2HB ALA 39 -0.745 -5.271 11.210 275 HB3 ALA 39 3HB ALA 39 0.893 -5.934 11.419 276 H ASP 40 H ASP 40 0.866 -2.457 8.225 277 HA ASP 40 HA ASP 40 -2.002 -2.672 7.797 278 HB2 ASP 40 1HB ASP 40 0.052 -0.496 7.359 279 HB3 ASP 40 2HB ASP 40 -1.386 -0.497 6.357 280 H VAL 41 H VAL 41 -2.746 -3.389 5.753 281 HA VAL 41 HA VAL 41 -0.689 -4.311 3.922 282 HB VAL 41 HB VAL 41 -3.685 -4.719 3.898 283 HG11 VAL 41 1HG1 VAL 41 -2.947 -5.218 1.738 284 HG12 VAL 41 2HG1 VAL 41 -1.401 -5.887 2.312 285 HG13 VAL 41 3HG1 VAL 41 -2.910 -6.799 2.555 286 HG21 VAL 41 1HG2 VAL 41 -3.436 -6.683 5.128 287 HG22 VAL 41 2HG2 VAL 41 -1.686 -6.777 4.819 288 HG23 VAL 41 3HG2 VAL 41 -2.326 -5.561 5.950 289 H VAL 42 H VAL 42 -0.454 -3.588 1.790 290 HA VAL 42 HA VAL 42 -2.240 -1.433 0.954 291 HB VAL 42 HB VAL 42 0.761 -1.302 1.214 292 HG11 VAL 42 1HG1 VAL 42 0.090 -0.568 -1.061 293 HG12 VAL 42 2HG1 VAL 42 -1.011 0.623 -0.328 294 HG13 VAL 42 3HG1 VAL 42 0.745 0.759 -0.073 295 HG21 VAL 42 1HG2 VAL 42 -1.237 0.799 2.046 296 HG22 VAL 42 2HG2 VAL 42 -0.891 -0.601 3.089 297 HG23 VAL 42 3HG2 VAL 42 0.418 0.518 2.638 298 H LEU 43 H LEU 43 -2.837 -1.623 -1.165 299 HA LEU 43 HA LEU 43 -1.718 -3.872 -2.601 300 HB2 LEU 43 1HB LEU 43 -4.142 -3.557 -2.414 301 HB3 LEU 43 2HB LEU 43 -4.016 -2.018 -3.243 302 HG LEU 43 HG LEU 43 -3.082 -3.268 -5.235 303 HD11 LEU 43 1HD1 LEU 43 -2.312 -5.293 -4.244 304 HD12 LEU 43 2HD1 LEU 43 -3.921 -5.654 -3.574 305 HD13 LEU 43 3HD1 LEU 43 -3.657 -5.711 -5.333 306 HD21 LEU 43 1HD2 LEU 43 -5.631 -4.499 -5.248 307 HD22 LEU 43 2HD2 LEU 43 -5.779 -2.999 -4.301 308 HD23 LEU 43 3HD2 LEU 43 -5.149 -2.943 -5.965 309 H VAL 44 H VAL 44 0.143 -3.564 -3.703 310 HA VAL 44 HA VAL 44 1.100 -1.043 -4.421 311 HB VAL 44 HB VAL 44 1.772 -3.819 -5.414 312 HG11 VAL 44 1HG1 VAL 44 3.624 -1.446 -5.588 313 HG12 VAL 44 2HG1 VAL 44 3.688 -2.996 -6.461 314 HG13 VAL 44 3HG1 VAL 44 2.453 -1.786 -6.884 315 HG21 VAL 44 1HG2 VAL 44 3.841 -3.174 -3.857 316 HG22 VAL 44 2HG2 VAL 44 2.604 -2.167 -3.067 317 HG23 VAL 44 3HG2 VAL 44 2.364 -3.925 -3.206 318 H LEU 45 H LEU 45 1.207 0.047 -6.445 319 HA LEU 45 HA LEU 45 -0.641 -1.002 -8.468 320 HB2 LEU 45 1HB LEU 45 -0.511 1.778 -7.312 321 HB3 LEU 45 2HB LEU 45 -1.241 1.438 -8.868 322 HG LEU 45 HG LEU 45 -2.150 -0.067 -6.427 323 HD11 LEU 45 1HD1 LEU 45 -3.982 1.995 -6.725 324 HD12 LEU 45 2HD1 LEU 45 -2.782 1.816 -5.422 325 HD13 LEU 45 3HD1 LEU 45 -2.401 2.804 -6.853 326 HD21 LEU 45 1HD2 LEU 45 -2.955 -0.894 -8.538 327 HD22 LEU 45 2HD2 LEU 45 -4.296 -0.095 -7.683 328 HD23 LEU 45 3HD2 LEU 45 -3.478 0.735 -9.029 329 H GLN 46 H GLN 46 2.155 1.105 -7.626 330 HA GLN 46 HA GLN 46 3.224 0.442 -10.233 331 HB2 GLN 46 1HB GLN 46 2.381 3.124 -9.360 332 HB3 GLN 46 2HB GLN 46 4.064 3.091 -9.849 333 HG2 GLN 46 1HG GLN 46 3.565 2.614 -12.058 334 HG3 GLN 46 2HG GLN 46 2.187 1.612 -11.647 335 HE21 GLN 46 1HE2 GLN 46 0.215 2.398 -11.841 336 HE22 GLN 46 2HE2 GLN 46 -0.215 4.053 -12.118 337 H GLN 47 H GLN 47 5.222 -0.438 -9.934 338 HA GLN 47 HA GLN 47 6.533 0.158 -7.422 339 HB2 GLN 47 1HB GLN 47 6.514 -2.129 -9.333 340 HB3 GLN 47 2HB GLN 47 8.068 -1.796 -8.597 341 HG2 GLN 47 1HG GLN 47 6.822 -1.738 -6.327 342 HG3 GLN 47 2HG GLN 47 5.442 -2.404 -7.176 343 HE21 GLN 47 1HE2 GLN 47 8.944 -2.890 -6.783 344 HE22 GLN 47 2HE2 GLN 47 8.926 -4.622 -6.752 345 H GLU 48 H GLU 48 8.112 1.693 -7.375 346 HA GLU 48 HA GLU 48 9.641 2.031 -9.836 347 HB2 GLU 48 1HB GLU 48 7.901 3.903 -8.967 348 HB3 GLU 48 2HB GLU 48 9.275 4.368 -7.983 349 HG2 GLU 48 1HG GLU 48 10.581 4.110 -10.331 350 HG3 GLU 48 2HG GLU 48 8.982 4.411 -10.983 351 H ASP 49 H ASP 49 11.714 1.363 -9.501 352 HA ASP 49 HA ASP 49 12.830 0.534 -7.289 353 HB2 ASP 49 1HB ASP 49 13.749 1.162 -9.813 354 HB3 ASP 49 2HB ASP 49 14.658 2.310 -8.850 355 H GLY 50 H GLY 50 12.627 1.578 -5.273 356 HA2 GLY 50 1HA GLY 50 14.006 3.221 -3.998 357 HA3 GLY 50 2HA GLY 50 13.444 4.419 -5.147 358 H TRP 51 H TRP 51 10.718 3.525 -5.476 359 HA TRP 51 HA TRP 51 9.629 3.597 -2.772 360 HB2 TRP 51 1HB TRP 51 9.224 5.716 -4.868 361 HB3 TRP 51 2HB TRP 51 8.002 5.391 -3.655 362 HD1 TRP 51 HD TRP 51 11.736 6.499 -3.803 363 HE1 TRP 51 1HE TRP 51 12.352 7.977 -1.705 364 HE3 TRP 51 3HE TRP 51 7.262 5.955 -1.449 365 HZ2 TRP 51 2HZ TRP 51 10.931 8.735 0.651 366 HZ3 TRP 51 3HZ TRP 51 6.958 7.097 0.746 367 HH2 TRP 51 HH TRP 51 8.703 8.449 1.797 368 H LEU 52 H LEU 52 7.472 2.705 -2.693 369 HA LEU 52 HA LEU 52 6.663 1.435 -5.216 370 HB2 LEU 52 1HB LEU 52 6.117 0.215 -2.535 371 HB3 LEU 52 2HB LEU 52 6.130 -0.537 -4.118 372 HG LEU 52 HG LEU 52 8.021 -1.261 -2.749 373 HD11 LEU 52 1HD1 LEU 52 8.545 0.292 -5.266 374 HD12 LEU 52 2HD1 LEU 52 9.885 -0.488 -4.392 375 HD13 LEU 52 3HD1 LEU 52 8.527 -1.467 -4.995 376 HD21 LEU 52 1HD2 LEU 52 8.110 1.181 -1.678 377 HD22 LEU 52 2HD2 LEU 52 9.515 0.088 -1.696 378 HD23 LEU 52 3HD2 LEU 52 9.380 1.383 -2.909 379 H TYR 53 H TYR 53 4.675 1.994 -5.933 380 HA TYR 53 HA TYR 53 3.023 3.571 -4.119 381 HB2 TYR 53 1HB TYR 53 3.747 4.229 -6.526 382 HB3 TYR 53 2HB TYR 53 2.808 2.871 -7.113 383 HD1 TYR 53 2HD TYR 53 2.290 5.796 -4.805 384 HD2 TYR 53 1HD TYR 53 0.721 3.380 -7.968 385 HE1 TYR 53 2HE TYR 53 0.218 7.266 -4.909 386 HE2 TYR 53 1HE TYR 53 -1.346 4.858 -8.061 387 HH TYR 53 HH TYR 53 -1.563 7.713 -7.099 388 H GLY 54 H GLY 54 0.884 3.041 -3.582 389 HA2 GLY 54 1HA GLY 54 -0.431 0.778 -4.756 390 HA3 GLY 54 2HA GLY 54 0.205 0.430 -3.160 391 H GLU 55 H GLU 55 -2.342 0.173 -2.985 392 HA GLU 55 HA GLU 55 -3.308 2.751 -2.026 393 HB2 GLU 55 1HB GLU 55 -4.485 2.184 -4.113 394 HB3 GLU 55 2HB GLU 55 -4.901 0.600 -3.489 395 HG2 GLU 55 1HG GLU 55 -5.767 2.534 -1.542 396 HG3 GLU 55 2HG GLU 55 -6.296 3.108 -3.111 397 H ARG 56 H ARG 56 -3.862 2.742 0.117 398 HA ARG 56 HA ARG 56 -3.483 0.438 1.606 399 HB2 ARG 56 1HB ARG 56 -3.455 3.009 2.266 400 HB3 ARG 56 2HB ARG 56 -5.160 2.771 2.594 401 HG2 ARG 56 1HG ARG 56 -4.734 1.162 4.310 402 HG3 ARG 56 2HG ARG 56 -3.096 0.870 3.758 403 HD2 ARG 56 1HD ARG 56 -3.231 2.287 5.855 404 HD3 ARG 56 2HD ARG 56 -2.346 3.047 4.547 405 HE ARG 56 HE ARG 56 -4.920 3.956 4.137 406 HH11 ARG 56 2HH2 ARG 56 -2.789 3.932 6.936 407 HH12 ARG 56 1HH2 ARG 56 -3.469 5.368 7.627 408 HH21 ARG 56 2HH1 ARG 56 -5.818 5.850 5.047 409 HH22 ARG 56 1HH1 ARG 56 -5.204 6.466 6.544 410 H LEU 57 H LEU 57 -4.842 -1.315 1.804 411 HA LEU 57 HA LEU 57 -7.460 -1.256 0.773 412 HB2 LEU 57 1HB LEU 57 -5.974 -3.257 2.475 413 HB3 LEU 57 2HB LEU 57 -7.583 -3.531 1.836 414 HG LEU 57 HG LEU 57 -6.192 -4.635 0.335 415 HD11 LEU 57 1HD1 LEU 57 -7.815 -2.918 -0.679 416 HD12 LEU 57 2HD1 LEU 57 -6.357 -1.973 -1.069 417 HD13 LEU 57 3HD1 LEU 57 -6.560 -3.613 -1.733 418 HD21 LEU 57 1HD2 LEU 57 -4.049 -4.104 -0.269 419 HD22 LEU 57 2HD2 LEU 57 -4.324 -2.350 -0.144 420 HD23 LEU 57 3HD2 LEU 57 -4.129 -3.327 1.331 421 H ARG 58 H ARG 58 -6.133 -0.033 3.668 422 HA ARG 58 HA ARG 58 -8.122 -0.690 5.464 423 HB2 ARG 58 1HB ARG 58 -5.935 0.314 6.106 424 HB3 ARG 58 2HB ARG 58 -6.367 1.814 5.310 425 HG2 ARG 58 1HG ARG 58 -8.361 2.003 6.876 426 HG3 ARG 58 2HG ARG 58 -7.781 0.582 7.722 427 HD2 ARG 58 1HD ARG 58 -6.015 1.713 8.711 428 HD3 ARG 58 2HD ARG 58 -5.752 2.747 7.321 429 HE ARG 58 HE ARG 58 -7.240 4.317 8.226 430 HH11 ARG 58 2HH2 ARG 58 -7.655 1.237 9.875 431 HH12 ARG 58 1HH2 ARG 58 -8.715 1.882 11.084 432 HH21 ARG 58 2HH1 ARG 58 -8.638 5.169 9.820 433 HH22 ARG 58 1HH1 ARG 58 -9.278 4.133 11.052 434 H ASP 59 H ASP 59 -7.598 2.495 3.759 435 HA ASP 59 HA ASP 59 -10.483 2.869 3.948 436 HB2 ASP 59 1HB ASP 59 -9.924 5.330 3.679 437 HB3 ASP 59 2HB ASP 59 -9.337 4.611 5.165 438 H GLY 60 H GLY 60 -7.597 2.662 1.918 439 HA2 GLY 60 1HA GLY 60 -7.893 2.030 -0.373 440 HA3 GLY 60 2HA GLY 60 -9.265 3.114 -0.478 441 H GLU 61 H GLU 61 -6.724 4.420 1.468 442 HA GLU 61 HA GLU 61 -6.328 6.526 -0.302 443 HB2 GLU 61 1HB GLU 61 -5.667 5.891 2.383 444 HB3 GLU 61 2HB GLU 61 -4.134 6.220 1.600 445 HG2 GLU 61 1HG GLU 61 -5.829 8.238 0.609 446 HG3 GLU 61 2HG GLU 61 -6.317 8.077 2.285 447 H THR 62 H THR 62 -4.995 6.746 -2.055 448 HA THR 62 HA THR 62 -2.953 4.659 -2.419 449 HB THR 62 HB THR 62 -3.990 6.435 -4.638 450 HG1 THR 62 1HG THR 62 -5.858 4.991 -4.689 451 HG21 THR 62 1HG2 THR 62 -4.067 4.012 -5.681 452 HG22 THR 62 2HG2 THR 62 -2.479 4.783 -5.455 453 HG23 THR 62 3HG2 THR 62 -3.049 3.562 -4.292 454 H GLY 63 H GLY 63 -0.936 5.233 -1.938 455 HA2 GLY 63 1HA GLY 63 -0.018 7.874 -2.816 456 HA3 GLY 63 2HA GLY 63 0.123 7.476 -1.115 457 H TRP 64 H TRP 64 2.511 7.912 -1.928 458 HA TRP 64 HA TRP 64 3.634 5.501 -3.132 459 HB2 TRP 64 1HB TRP 64 4.631 8.304 -2.711 460 HB3 TRP 64 2HB TRP 64 5.749 6.993 -3.025 461 HD1 TRP 64 HD TRP 64 3.181 9.185 -4.798 462 HE1 TRP 64 1HE TRP 64 3.183 8.787 -7.406 463 HE3 TRP 64 3HE TRP 64 6.188 5.086 -4.699 464 HZ2 TRP 64 2HZ TRP 64 4.415 6.847 -9.098 465 HZ3 TRP 64 3HZ TRP 64 6.742 3.999 -6.873 466 HH2 TRP 64 HH TRP 64 5.908 4.816 -9.021 467 H PHE 65 H PHE 65 4.297 3.909 -1.758 468 HA PHE 65 HA PHE 65 5.186 4.763 0.908 469 HB2 PHE 65 1HB PHE 65 4.100 2.778 1.744 470 HB3 PHE 65 2HB PHE 65 2.974 3.379 0.543 471 HD1 PHE 65 1HD PHE 65 5.814 0.997 0.922 472 HD2 PHE 65 2HD PHE 65 2.241 1.967 -1.152 473 HE1 PHE 65 1HE PHE 65 5.905 -1.210 -0.268 474 HE2 PHE 65 2HE PHE 65 2.332 -0.240 -2.342 475 HZ PHE 65 HZ PHE 65 4.163 -1.803 -1.887 476 HA PRO 66 HA PRO 66 8.916 2.843 -0.248 477 HB2 PRO 66 1HB PRO 66 10.239 3.053 2.134 478 HB3 PRO 66 2HB PRO 66 10.153 4.358 0.967 479 HG2 PRO 66 1HG PRO 66 8.703 4.061 3.526 480 HG3 PRO 66 2HG PRO 66 8.960 5.508 2.572 481 HD2 PRO 66 1HD PRO 66 6.545 3.969 2.739 482 HD3 PRO 66 2HD PRO 66 6.840 5.347 1.697 483 H GLU 67 H GLU 67 10.125 0.907 -0.124 484 HA GLU 67 HA GLU 67 8.486 -1.171 0.851 485 HB2 GLU 67 1HB GLU 67 10.573 -2.577 0.170 486 HB3 GLU 67 2HB GLU 67 9.693 -1.732 -1.089 487 HG2 GLU 67 1HG GLU 67 11.449 -0.344 -1.552 488 HG3 GLU 67 2HG GLU 67 11.775 -0.039 0.142 489 H ASP 68 H ASP 68 11.407 0.548 1.985 490 HA ASP 68 HA ASP 68 12.326 -1.194 3.835 491 HB2 ASP 68 1HB ASP 68 12.051 1.792 4.369 492 HB3 ASP 68 2HB ASP 68 13.313 0.723 4.946 493 H PHE 69 H PHE 69 9.314 0.609 3.741 494 HA PHE 69 HA PHE 69 8.840 0.040 6.578 495 HB2 PHE 69 1HB PHE 69 7.641 1.959 4.499 496 HB3 PHE 69 2HB PHE 69 6.905 1.730 6.072 497 HD1 PHE 69 2HD PHE 69 10.031 2.836 4.410 498 HD2 PHE 69 1HD PHE 69 7.683 2.917 7.944 499 HE1 PHE 69 2HE PHE 69 11.541 4.594 5.374 500 HE2 PHE 69 1HE PHE 69 9.193 4.675 8.908 501 HZ PHE 69 HZ PHE 69 11.104 5.492 7.611 502 H ALA 70 H ALA 70 8.679 -1.891 4.229 503 HA ALA 70 HA ALA 70 6.107 -2.952 4.930 504 HB1 ALA 70 1HB ALA 70 6.373 -1.304 2.590 505 HB2 ALA 70 2HB ALA 70 6.119 -2.988 2.071 506 HB3 ALA 70 3HB ALA 70 4.948 -2.206 3.159 507 H ARG 71 H ARG 71 5.827 -5.170 3.893 508 HA ARG 71 HA ARG 71 8.421 -6.238 3.141 509 HB2 ARG 71 1HB ARG 71 6.646 -7.034 5.421 510 HB3 ARG 71 2HB ARG 71 7.311 -8.365 4.495 511 HG2 ARG 71 1HG ARG 71 9.578 -6.905 4.755 512 HG3 ARG 71 2HG ARG 71 8.738 -6.316 6.175 513 HD2 ARG 71 1HD ARG 71 9.646 -8.173 7.181 514 HD3 ARG 71 2HD ARG 71 8.281 -9.002 6.461 515 HE ARG 71 HE ARG 71 10.467 -8.838 4.573 516 HH11 ARG 71 2HH2 ARG 71 9.396 -10.572 7.441 517 HH12 ARG 71 1HH2 ARG 71 10.311 -11.997 7.077 518 HH21 ARG 71 2HH1 ARG 71 11.675 -10.717 4.092 519 HH22 ARG 71 1HH1 ARG 71 11.616 -12.080 5.160 520 H PHE 72 H PHE 72 8.198 -7.109 1.105 521 HA PHE 72 HA PHE 72 5.755 -7.496 -0.131 522 HB2 PHE 72 1HB PHE 72 8.659 -8.230 -0.489 523 HB3 PHE 72 2HB PHE 72 7.537 -9.185 -1.438 524 HD1 PHE 72 2HD PHE 72 5.887 -7.916 -2.944 525 HD2 PHE 72 1HD PHE 72 9.319 -6.110 -1.222 526 HE1 PHE 72 2HE PHE 72 5.791 -6.092 -4.666 527 HE2 PHE 72 1HE PHE 72 9.223 -4.285 -2.944 528 HZ PHE 72 HZ PHE 72 7.459 -4.299 -4.645 529 H ILE 73 H ILE 73 4.228 -8.815 0.853 530 HA ILE 73 HA ILE 73 4.773 -11.144 2.227 531 HB ILE 73 HB ILE 73 2.302 -10.342 0.686 532 HG12 ILE 73 1HG1 ILE 73 3.207 -9.812 3.525 533 HG13 ILE 73 2HG1 ILE 73 2.853 -8.637 2.274 534 HG21 ILE 73 1HG2 ILE 73 1.135 -12.055 1.615 535 HG22 ILE 73 2HG2 ILE 73 2.732 -12.836 1.529 536 HG23 ILE 73 3HG2 ILE 73 2.168 -12.130 3.063 537 HD11 ILE 73 1HD1 ILE 73 0.765 -10.601 3.310 538 HD12 ILE 73 2HD1 ILE 73 1.007 -8.983 4.010 539 HD13 ILE 73 3HD1 ILE 73 0.493 -9.151 2.314 540 H SER 74 H SER 74 3.815 -10.714 -1.248 541 HA SER 74 HA SER 74 5.352 -13.070 -1.832 542 HB2 SER 74 1HB SER 74 2.520 -13.221 -1.544 543 HB3 SER 74 2HB SER 74 2.829 -13.273 -3.268 544 HG SER 74 HG SER 74 2.859 -15.387 -2.070 545 H GLY 75 H GLY 75 6.019 -13.146 -4.079 546 HA2 GLY 75 1HA GLY 75 5.211 -10.807 -5.690 547 HA3 GLY 75 2HA GLY 75 6.900 -11.205 -5.447 548 HA PRO 76 HA PRO 76 5.762 -13.501 -9.130 549 HB2 PRO 76 1HB PRO 76 8.037 -12.980 -10.551 550 HB3 PRO 76 2HB PRO 76 6.594 -11.991 -10.657 551 HG2 PRO 76 1HG PRO 76 9.138 -11.414 -9.267 552 HG3 PRO 76 2HG PRO 76 7.870 -10.302 -9.742 553 HD2 PRO 76 1HD PRO 76 8.377 -11.298 -7.101 554 HD3 PRO 76 2HD PRO 76 7.041 -10.279 -7.598 555 H SER 77 H SER 77 6.489 -15.488 -10.113 556 HA SER 77 HA SER 77 7.791 -17.013 -8.127 557 HB2 SER 77 1HB SER 77 6.354 -17.477 -10.651 558 HB3 SER 77 2HB SER 77 7.728 -18.551 -10.481 559 HG SER 77 HG SER 77 6.900 -19.355 -8.530 560 H SER 78 H SER 78 9.781 -18.367 -8.555 561 HA SER 78 HA SER 78 11.541 -17.041 -10.461 562 HB2 SER 78 1HB SER 78 11.782 -16.747 -7.731 563 HB3 SER 78 2HB SER 78 12.817 -18.135 -8.002 564 HG SER 78 HG SER 78 14.291 -16.864 -8.888 565 H GLY 79 H GLY 79 11.277 -19.895 -8.208 566 HA2 GLY 79 1HA GLY 79 12.179 -21.602 -10.449 567 HA3 GLY 79 2HA GLY 79 12.811 -21.779 -8.824 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -14.840 18.379 -7.515 2 HA2 GLY 1 1HA GLY 1 -14.735 16.734 -5.102 3 HA3 GLY 1 2HA GLY 1 -15.454 18.322 -5.282 4 H SER 2 H SER 2 -17.647 18.319 -5.113 5 HA SER 2 HA SER 2 -19.719 17.681 -5.197 6 HB2 SER 2 1HB SER 2 -18.756 16.221 -7.691 7 HB3 SER 2 2HB SER 2 -20.447 16.302 -7.239 8 HG SER 2 HG SER 2 -18.711 18.377 -8.150 9 H SER 3 H SER 3 -21.286 15.667 -5.138 10 HA SER 3 HA SER 3 -20.206 13.142 -4.766 11 HB2 SER 3 1HB SER 3 -19.502 14.631 -2.619 12 HB3 SER 3 2HB SER 3 -21.104 14.159 -2.087 13 HG SER 3 HG SER 3 -20.476 12.098 -1.851 14 H GLY 4 H GLY 4 -22.025 12.488 -5.978 15 HA2 GLY 4 1HA GLY 4 -24.659 13.387 -5.454 16 HA3 GLY 4 2HA GLY 4 -24.179 12.022 -6.443 17 H SER 5 H SER 5 -24.013 9.896 -5.521 18 HA SER 5 HA SER 5 -24.632 9.656 -2.727 19 HB2 SER 5 1HB SER 5 -26.473 8.640 -4.927 20 HB3 SER 5 2HB SER 5 -26.496 7.965 -3.310 21 HG SER 5 HG SER 5 -26.591 10.612 -2.956 22 H SER 6 H SER 6 -24.496 7.798 -5.860 23 HA SER 6 HA SER 6 -22.297 6.300 -4.782 24 HB2 SER 6 1HB SER 6 -24.443 5.087 -4.105 25 HB3 SER 6 2HB SER 6 -24.764 4.835 -5.809 26 HG SER 6 HG SER 6 -22.334 3.980 -4.486 27 H GLY 7 H GLY 7 -20.793 6.125 -6.408 28 HA2 GLY 7 1HA GLY 7 -21.122 5.193 -8.932 29 HA3 GLY 7 2HA GLY 7 -21.521 6.892 -9.089 30 H TRP 8 H TRP 8 -19.038 4.900 -7.315 31 HA TRP 8 HA TRP 8 -17.093 6.907 -7.351 32 HB2 TRP 8 1HB TRP 8 -17.213 4.013 -6.734 33 HB3 TRP 8 2HB TRP 8 -15.633 4.647 -7.149 34 HD1 TRP 8 HD TRP 8 -14.349 5.838 -5.187 35 HE1 TRP 8 1HE TRP 8 -14.856 6.668 -2.734 36 HE3 TRP 8 3HE TRP 8 -19.365 5.031 -5.388 37 HZ2 TRP 8 2HZ TRP 8 -17.244 6.888 -1.187 38 HZ3 TRP 8 3HZ TRP 8 -20.712 5.580 -3.363 39 HH2 TRP 8 HH TRP 8 -19.729 6.478 -1.313 40 H GLN 9 H GLN 9 -17.155 3.792 -9.241 41 HA GLN 9 HA GLN 9 -16.519 3.300 -11.257 42 HB2 GLN 9 1HB GLN 9 -17.847 5.706 -11.607 43 HB3 GLN 9 2HB GLN 9 -16.306 6.044 -12.370 44 HG2 GLN 9 1HG GLN 9 -17.619 5.117 -14.122 45 HG3 GLN 9 2HG GLN 9 -16.594 3.788 -13.617 46 HE21 GLN 9 1HE2 GLN 9 -18.270 2.517 -14.663 47 HE22 GLN 9 2HE2 GLN 9 -19.672 2.031 -13.770 48 H GLY 10 H GLY 10 -14.628 3.451 -12.840 49 HA2 GLY 10 1HA GLY 10 -12.441 3.748 -13.308 50 HA3 GLY 10 2HA GLY 10 -12.408 5.119 -12.218 51 H LEU 11 H LEU 11 -10.887 4.868 -10.647 52 HA LEU 11 HA LEU 11 -9.601 3.945 -9.108 53 HB2 LEU 11 1HB LEU 11 -12.089 2.289 -8.797 54 HB3 LEU 11 2HB LEU 11 -10.677 1.999 -7.800 55 HG LEU 11 HG LEU 11 -11.675 4.805 -7.942 56 HD11 LEU 11 1HD1 LEU 11 -13.458 4.473 -6.385 57 HD12 LEU 11 2HD1 LEU 11 -13.733 3.390 -7.771 58 HD13 LEU 11 3HD1 LEU 11 -13.092 2.737 -6.244 59 HD21 LEU 11 1HD2 LEU 11 -9.837 3.332 -6.388 60 HD22 LEU 11 2HD2 LEU 11 -10.316 5.036 -6.206 61 HD23 LEU 11 3HD2 LEU 11 -11.181 3.767 -5.306 62 H SER 12 H SER 12 -8.181 3.422 -10.994 63 HA SER 12 HA SER 12 -8.253 0.964 -12.225 64 HB2 SER 12 1HB SER 12 -6.919 2.788 -13.116 65 HB3 SER 12 2HB SER 12 -5.947 2.871 -11.660 66 HG SER 12 HG SER 12 -5.670 1.222 -13.872 67 H SER 13 H SER 13 -7.588 -1.094 -11.628 68 HA SER 13 HA SER 13 -5.730 -1.354 -9.462 69 HB2 SER 13 1HB SER 13 -7.139 -2.692 -8.032 70 HB3 SER 13 2HB SER 13 -8.007 -1.208 -8.371 71 HG SER 13 HG SER 13 -8.735 -3.797 -8.918 72 H LYS 14 H LYS 14 -4.260 -2.588 -10.614 73 HA LYS 14 HA LYS 14 -5.030 -4.382 -12.634 74 HB2 LYS 14 1HB LYS 14 -2.551 -3.471 -11.341 75 HB3 LYS 14 2HB LYS 14 -2.485 -5.138 -11.877 76 HG2 LYS 14 1HG LYS 14 -2.469 -4.549 -14.083 77 HG3 LYS 14 2HG LYS 14 -3.775 -3.398 -13.876 78 HD2 LYS 14 1HD LYS 14 -2.231 -1.753 -14.135 79 HD3 LYS 14 2HD LYS 14 -1.632 -2.171 -12.542 80 HE2 LYS 14 1HE LYS 14 -0.652 -3.942 -14.734 81 HE3 LYS 14 2HE LYS 14 -0.126 -2.275 -14.856 82 HZ1 LYS 14 1HZ LYS 14 0.547 -2.485 -12.486 83 HZ2 LYS 14 2HZ LYS 14 0.271 -4.091 -12.590 84 HZ3 LYS 14 3HZ LYS 14 1.416 -3.398 -13.526 85 H GLY 15 H GLY 15 -4.990 -6.705 -12.665 86 HA2 GLY 15 1HA GLY 15 -6.073 -7.861 -10.276 87 HA3 GLY 15 2HA GLY 15 -5.777 -8.650 -11.812 88 H ASP 16 H ASP 16 -5.180 -9.585 -9.025 89 HA ASP 16 HA ASP 16 -3.554 -10.381 -7.794 90 HB2 ASP 16 1HB ASP 16 -2.090 -11.048 -10.369 91 HB3 ASP 16 2HB ASP 16 -2.192 -12.006 -8.905 92 H LEU 17 H LEU 17 -2.885 -8.037 -7.249 93 HA LEU 17 HA LEU 17 -0.354 -7.295 -8.516 94 HB2 LEU 17 1HB LEU 17 -2.527 -5.797 -7.113 95 HB3 LEU 17 2HB LEU 17 -0.897 -5.154 -7.082 96 HG LEU 17 HG LEU 17 -2.515 -5.766 -9.570 97 HD11 LEU 17 1HD1 LEU 17 -2.462 -3.483 -7.830 98 HD12 LEU 17 2HD1 LEU 17 -1.807 -3.035 -9.423 99 HD13 LEU 17 3HD1 LEU 17 -3.426 -3.764 -9.300 100 HD21 LEU 17 1HD2 LEU 17 0.301 -4.727 -9.219 101 HD22 LEU 17 2HD2 LEU 17 -0.255 -6.141 -10.147 102 HD23 LEU 17 3HD2 LEU 17 -0.640 -4.497 -10.712 103 HA PRO 18 HA PRO 18 1.851 -8.203 -4.921 104 HB2 PRO 18 1HB PRO 18 3.801 -6.289 -4.857 105 HB3 PRO 18 2HB PRO 18 3.870 -7.693 -5.904 106 HG2 PRO 18 1HG PRO 18 3.251 -4.889 -6.604 107 HG3 PRO 18 2HG PRO 18 3.738 -6.202 -7.658 108 HD2 PRO 18 1HD PRO 18 1.090 -5.145 -7.346 109 HD3 PRO 18 2HD PRO 18 1.558 -6.531 -8.310 110 H GLN 19 H GLN 19 1.697 -8.103 -2.744 111 HA GLN 19 HA GLN 19 0.772 -5.496 -1.815 112 HB2 GLN 19 1HB GLN 19 -0.101 -8.249 -0.833 113 HB3 GLN 19 2HB GLN 19 -0.587 -6.732 -0.104 114 HG2 GLN 19 1HG GLN 19 -1.579 -6.027 -2.321 115 HG3 GLN 19 2HG GLN 19 -1.163 -7.598 -2.977 116 HE21 GLN 19 1HE2 GLN 19 -2.737 -6.175 -0.114 117 HE22 GLN 19 2HE2 GLN 19 -4.066 -7.282 -0.020 118 H VAL 20 H VAL 20 1.693 -4.698 0.113 119 HA VAL 20 HA VAL 20 3.694 -6.448 1.357 120 HB VAL 20 HB VAL 20 5.204 -4.564 1.524 121 HG11 VAL 20 1HG1 VAL 20 4.624 -5.992 -0.788 122 HG12 VAL 20 2HG1 VAL 20 4.720 -4.305 -1.347 123 HG13 VAL 20 3HG1 VAL 20 6.092 -5.034 -0.478 124 HG21 VAL 20 1HG2 VAL 20 3.489 -2.905 -0.306 125 HG22 VAL 20 2HG2 VAL 20 3.190 -2.885 1.449 126 HG23 VAL 20 3HG2 VAL 20 4.780 -2.401 0.812 127 H GLU 21 H GLU 21 3.808 -6.339 3.607 128 HA GLU 21 HA GLU 21 1.605 -4.881 4.783 129 HB2 GLU 21 1HB GLU 21 1.881 -7.326 5.251 130 HB3 GLU 21 2HB GLU 21 3.434 -7.001 5.995 131 HG2 GLU 21 1HG GLU 21 2.434 -5.738 7.788 132 HG3 GLU 21 2HG GLU 21 0.901 -5.609 6.949 133 H ILE 22 H ILE 22 1.938 -2.952 5.798 134 HA ILE 22 HA ILE 22 4.542 -1.904 6.047 135 HB ILE 22 HB ILE 22 1.935 -0.946 7.235 136 HG12 ILE 22 1HG1 ILE 22 1.698 -1.224 4.843 137 HG13 ILE 22 2HG1 ILE 22 1.777 0.481 5.238 138 HG21 ILE 22 1HG2 ILE 22 3.623 1.211 6.598 139 HG22 ILE 22 2HG2 ILE 22 3.149 0.633 8.213 140 HG23 ILE 22 3HG2 ILE 22 4.641 0.028 7.454 141 HD11 ILE 22 1HD1 ILE 22 3.185 -0.027 3.269 142 HD12 ILE 22 2HD1 ILE 22 4.193 0.523 4.630 143 HD13 ILE 22 3HD1 ILE 22 4.111 -1.208 4.226 144 H THR 23 H THR 23 6.038 -2.578 7.482 145 HA THR 23 HA THR 23 5.323 -4.035 9.807 146 HB THR 23 HB THR 23 7.840 -3.785 10.212 147 HG1 THR 23 1HG THR 23 8.158 -1.733 9.211 148 HG21 THR 23 1HG2 THR 23 8.127 -5.508 8.741 149 HG22 THR 23 2HG2 THR 23 6.523 -5.147 8.058 150 HG23 THR 23 3HG2 THR 23 7.977 -4.384 7.369 151 H LYS 24 H LYS 24 6.133 -0.606 9.158 152 HA LYS 24 HA LYS 24 5.133 -0.026 11.836 153 HB2 LYS 24 1HB LYS 24 6.969 1.411 12.382 154 HB3 LYS 24 2HB LYS 24 7.612 -0.168 11.979 155 HG2 LYS 24 1HG LYS 24 7.473 1.294 9.520 156 HG3 LYS 24 2HG LYS 24 8.148 2.391 10.709 157 HD2 LYS 24 1HD LYS 24 9.541 0.093 11.310 158 HD3 LYS 24 2HD LYS 24 9.291 -0.131 9.590 159 HE2 LYS 24 1HE LYS 24 11.280 1.101 9.577 160 HE3 LYS 24 2HE LYS 24 10.104 2.390 9.412 161 HZ1 LYS 24 1HZ LYS 24 10.190 2.354 11.970 162 HZ2 LYS 24 2HZ LYS 24 11.632 1.618 11.761 163 HZ3 LYS 24 3HZ LYS 24 11.377 3.105 11.138 164 H ALA 25 H ALA 25 4.288 2.162 12.045 165 HA ALA 25 HA ALA 25 2.787 2.965 9.892 166 HB1 ALA 25 1HB ALA 25 3.633 4.117 12.516 167 HB2 ALA 25 2HB ALA 25 2.942 5.246 11.326 168 HB3 ALA 25 3HB ALA 25 2.002 3.834 11.864 169 H PHE 26 H PHE 26 2.971 4.632 8.320 170 HA PHE 26 HA PHE 26 5.698 5.676 8.015 171 HB2 PHE 26 1HB PHE 26 5.449 4.004 6.302 172 HB3 PHE 26 2HB PHE 26 3.732 4.310 6.131 173 HD1 PHE 26 1HD PHE 26 6.845 6.364 5.809 174 HD2 PHE 26 2HD PHE 26 3.162 5.159 4.078 175 HE1 PHE 26 1HE PHE 26 7.303 7.823 3.818 176 HE2 PHE 26 2HE PHE 26 3.621 6.618 2.087 177 HZ PHE 26 HZ PHE 26 5.685 7.933 1.982 178 H PHE 27 H PHE 27 4.924 7.629 9.119 179 HA PHE 27 HA PHE 27 2.695 9.059 8.312 180 HB2 PHE 27 1HB PHE 27 5.427 10.076 9.296 181 HB3 PHE 27 2HB PHE 27 3.901 10.914 9.495 182 HD1 PHE 27 1HD PHE 27 2.092 8.871 10.469 183 HD2 PHE 27 2HD PHE 27 6.189 9.482 11.392 184 HE1 PHE 27 1HE PHE 27 1.761 7.741 12.685 185 HE2 PHE 27 2HE PHE 27 5.858 8.352 13.609 186 HZ PHE 27 HZ PHE 27 3.648 7.495 14.229 187 H ALA 28 H ALA 28 2.215 10.020 6.400 188 HA ALA 28 HA ALA 28 4.216 10.339 4.408 189 HB1 ALA 28 1HB ALA 28 1.991 9.770 3.731 190 HB2 ALA 28 2HB ALA 28 1.291 11.125 4.649 191 HB3 ALA 28 3HB ALA 28 2.263 11.445 3.193 192 H LYS 29 H LYS 29 5.370 12.147 3.805 193 HA LYS 29 HA LYS 29 4.959 14.498 5.509 194 HB2 LYS 29 1HB LYS 29 7.251 14.951 5.344 195 HB3 LYS 29 2HB LYS 29 7.162 13.217 5.581 196 HG2 LYS 29 1HG LYS 29 8.525 13.109 3.747 197 HG3 LYS 29 2HG LYS 29 7.047 13.341 2.835 198 HD2 LYS 29 1HD LYS 29 7.528 15.556 2.333 199 HD3 LYS 29 2HD LYS 29 8.360 15.837 3.849 200 HE2 LYS 29 1HE LYS 29 10.015 13.960 2.624 201 HE3 LYS 29 2HE LYS 29 9.442 14.889 1.252 202 HZ1 LYS 29 1HZ LYS 29 10.829 16.469 1.845 203 HZ2 LYS 29 2HZ LYS 29 10.064 16.671 3.273 204 HZ3 LYS 29 3HZ LYS 29 11.318 15.631 3.158 205 H GLN 30 H GLN 30 5.216 13.266 2.167 206 HA GLN 30 HA GLN 30 4.835 15.965 1.194 207 HB2 GLN 30 1HB GLN 30 5.750 13.366 -0.007 208 HB3 GLN 30 2HB GLN 30 4.974 14.517 -1.077 209 HG2 GLN 30 1HG GLN 30 6.777 16.060 0.488 210 HG3 GLN 30 2HG GLN 30 7.658 14.600 0.084 211 HE21 GLN 30 1HE2 GLN 30 5.528 17.063 -1.340 212 HE22 GLN 30 2HE2 GLN 30 6.296 17.155 -2.890 213 H ALA 31 H ALA 31 3.349 15.668 -1.094 214 HA ALA 31 HA ALA 31 0.759 14.919 0.017 215 HB1 ALA 31 1HB ALA 31 -0.159 16.412 -1.561 216 HB2 ALA 31 2HB ALA 31 1.358 17.203 -1.068 217 HB3 ALA 31 3HB ALA 31 1.273 16.326 -2.614 218 H ASP 32 H ASP 32 3.266 13.532 -1.766 219 HA ASP 32 HA ASP 32 1.458 12.080 -3.492 220 HB2 ASP 32 1HB ASP 32 3.835 11.021 -4.130 221 HB3 ASP 32 2HB ASP 32 3.321 12.565 -4.779 222 H GLU 33 H GLU 33 2.901 11.940 -0.385 223 HA GLU 33 HA GLU 33 3.196 9.074 -0.400 224 HB2 GLU 33 1HB GLU 33 3.729 11.209 1.705 225 HB3 GLU 33 2HB GLU 33 3.901 9.496 2.032 226 HG2 GLU 33 1HG GLU 33 5.693 9.247 0.477 227 HG3 GLU 33 2HG GLU 33 5.297 10.734 -0.363 228 H VAL 34 H VAL 34 2.287 8.003 1.806 229 HA VAL 34 HA VAL 34 -0.322 9.098 2.460 230 HB VAL 34 HB VAL 34 -0.886 7.781 0.576 231 HG11 VAL 34 1HG1 VAL 34 1.321 6.480 0.630 232 HG12 VAL 34 2HG1 VAL 34 0.502 5.362 1.747 233 HG13 VAL 34 3HG1 VAL 34 -0.130 5.595 0.100 234 HG21 VAL 34 1HG2 VAL 34 -2.024 5.723 1.796 235 HG22 VAL 34 2HG2 VAL 34 -1.501 6.594 3.257 236 HG23 VAL 34 3HG2 VAL 34 -2.577 7.390 2.084 237 H THR 35 H THR 35 -0.868 8.705 4.585 238 HA THR 35 HA THR 35 1.177 7.569 6.233 239 HB THR 35 HB THR 35 -1.649 8.581 6.853 240 HG1 THR 35 1HG THR 35 -0.050 10.049 5.760 241 HG21 THR 35 1HG2 THR 35 -1.111 8.443 9.084 242 HG22 THR 35 2HG2 THR 35 0.120 7.263 8.572 243 HG23 THR 35 3HG2 THR 35 0.563 8.974 8.790 244 H LEU 36 H LEU 36 1.328 5.605 7.188 245 HA LEU 36 HA LEU 36 -0.956 3.809 6.780 246 HB2 LEU 36 1HB LEU 36 1.905 2.907 6.572 247 HB3 LEU 36 2HB LEU 36 0.449 2.041 6.124 248 HG LEU 36 HG LEU 36 1.209 4.586 4.703 249 HD11 LEU 36 1HD1 LEU 36 2.559 3.438 3.133 250 HD12 LEU 36 2HD1 LEU 36 3.162 2.978 4.744 251 HD13 LEU 36 3HD1 LEU 36 2.142 1.849 3.820 252 HD21 LEU 36 1HD2 LEU 36 -0.596 2.247 4.169 253 HD22 LEU 36 2HD2 LEU 36 -0.927 3.993 4.061 254 HD23 LEU 36 3HD2 LEU 36 0.063 3.196 2.815 255 H GLN 37 H GLN 37 -0.545 1.727 8.254 256 HA GLN 37 HA GLN 37 0.477 2.726 10.796 257 HB2 GLN 37 1HB GLN 37 -2.120 1.260 10.221 258 HB3 GLN 37 2HB GLN 37 -1.404 1.245 11.820 259 HG2 GLN 37 1HG GLN 37 -1.803 3.884 10.380 260 HG3 GLN 37 2HG GLN 37 -3.160 3.121 11.184 261 HE21 GLN 37 1HE2 GLN 37 -1.892 5.612 11.816 262 HE22 GLN 37 2HE2 GLN 37 -1.285 5.520 13.436 263 H GLN 38 H GLN 38 0.882 0.809 12.394 264 HA GLN 38 HA GLN 38 2.655 -0.921 11.124 265 HB2 GLN 38 1HB GLN 38 3.006 -0.228 13.431 266 HB3 GLN 38 2HB GLN 38 1.473 -0.914 13.931 267 HG2 GLN 38 1HG GLN 38 2.253 -3.120 13.819 268 HG3 GLN 38 2HG GLN 38 3.446 -2.754 12.589 269 HE21 GLN 38 1HE2 GLN 38 5.380 -1.692 13.151 270 HE22 GLN 38 2HE2 GLN 38 6.021 -1.741 14.759 271 H ALA 39 H ALA 39 2.380 -2.926 10.210 272 HA ALA 39 HA ALA 39 1.442 -4.845 9.620 273 HB1 ALA 39 1HB ALA 39 0.417 -4.384 12.318 274 HB2 ALA 39 2HB ALA 39 -0.737 -5.302 11.321 275 HB3 ALA 39 3HB ALA 39 0.924 -5.903 11.540 276 H ASP 40 H ASP 40 0.790 -2.610 8.172 277 HA ASP 40 HA ASP 40 -2.093 -2.827 7.843 278 HB2 ASP 40 1HB ASP 40 -0.057 -0.668 7.280 279 HB3 ASP 40 2HB ASP 40 -1.494 -0.722 6.280 280 H VAL 41 H VAL 41 -2.913 -3.100 5.607 281 HA VAL 41 HA VAL 41 -0.914 -4.350 3.869 282 HB VAL 41 HB VAL 41 -3.931 -4.569 3.891 283 HG11 VAL 41 1HG1 VAL 41 -1.775 -5.805 2.188 284 HG12 VAL 41 2HG1 VAL 41 -3.298 -6.676 2.489 285 HG13 VAL 41 3HG1 VAL 41 -3.326 -5.079 1.702 286 HG21 VAL 41 1HG2 VAL 41 -3.089 -5.583 5.896 287 HG22 VAL 41 2HG2 VAL 41 -3.474 -6.890 4.750 288 HG23 VAL 41 3HG2 VAL 41 -1.782 -6.398 5.004 289 H VAL 42 H VAL 42 -0.576 -3.626 1.765 290 HA VAL 42 HA VAL 42 -2.262 -1.430 0.845 291 HB VAL 42 HB VAL 42 0.724 -1.347 1.259 292 HG11 VAL 42 1HG1 VAL 42 0.746 0.770 -0.004 293 HG12 VAL 42 2HG1 VAL 42 0.281 -0.608 -1.031 294 HG13 VAL 42 3HG1 VAL 42 -0.962 0.523 -0.442 295 HG21 VAL 42 1HG2 VAL 42 0.349 0.397 2.720 296 HG22 VAL 42 2HG2 VAL 42 -1.188 0.859 1.951 297 HG23 VAL 42 3HG2 VAL 42 -1.112 -0.581 2.994 298 H LEU 43 H LEU 43 -2.826 -1.716 -1.259 299 HA LEU 43 HA LEU 43 -1.589 -3.932 -2.648 300 HB2 LEU 43 1HB LEU 43 -4.046 -3.656 -2.486 301 HB3 LEU 43 2HB LEU 43 -3.924 -2.177 -3.419 302 HG LEU 43 HG LEU 43 -2.690 -3.824 -5.140 303 HD11 LEU 43 1HD1 LEU 43 -4.479 -5.611 -3.488 304 HD12 LEU 43 2HD1 LEU 43 -4.027 -5.982 -5.169 305 HD13 LEU 43 3HD1 LEU 43 -2.768 -5.841 -3.919 306 HD21 LEU 43 1HD2 LEU 43 -5.317 -2.690 -4.848 307 HD22 LEU 43 2HD2 LEU 43 -4.373 -3.001 -6.325 308 HD23 LEU 43 3HD2 LEU 43 -5.426 -4.272 -5.658 309 H VAL 44 H VAL 44 0.275 -3.565 -3.726 310 HA VAL 44 HA VAL 44 1.163 -1.021 -4.436 311 HB VAL 44 HB VAL 44 1.920 -3.776 -5.426 312 HG11 VAL 44 1HG1 VAL 44 4.003 -1.734 -5.557 313 HG12 VAL 44 2HG1 VAL 44 3.464 -2.899 -6.790 314 HG13 VAL 44 3HG1 VAL 44 2.614 -1.347 -6.600 315 HG21 VAL 44 1HG2 VAL 44 3.954 -3.111 -3.859 316 HG22 VAL 44 2HG2 VAL 44 2.723 -2.081 -3.090 317 HG23 VAL 44 3HG2 VAL 44 2.472 -3.840 -3.196 318 H LEU 45 H LEU 45 1.075 0.185 -6.337 319 HA LEU 45 HA LEU 45 -0.683 -0.932 -8.410 320 HB2 LEU 45 1HB LEU 45 -0.575 1.836 -7.231 321 HB3 LEU 45 2HB LEU 45 -1.285 1.520 -8.801 322 HG LEU 45 HG LEU 45 -2.216 -0.032 -6.399 323 HD11 LEU 45 1HD1 LEU 45 -2.890 1.817 -5.364 324 HD12 LEU 45 2HD1 LEU 45 -2.454 2.842 -6.752 325 HD13 LEU 45 3HD1 LEU 45 -4.045 2.045 -6.699 326 HD21 LEU 45 1HD2 LEU 45 -3.943 -0.682 -7.691 327 HD22 LEU 45 2HD2 LEU 45 -4.079 0.897 -8.500 328 HD23 LEU 45 3HD2 LEU 45 -2.835 -0.265 -9.020 329 H GLN 46 H GLN 46 2.128 1.148 -7.572 330 HA GLN 46 HA GLN 46 3.163 0.524 -10.202 331 HB2 GLN 46 1HB GLN 46 2.343 3.197 -9.280 332 HB3 GLN 46 2HB GLN 46 4.021 3.163 -9.782 333 HG2 GLN 46 1HG GLN 46 3.469 2.942 -11.982 334 HG3 GLN 46 2HG GLN 46 2.326 1.656 -11.650 335 HE21 GLN 46 1HE2 GLN 46 2.748 5.162 -11.217 336 HE22 GLN 46 2HE2 GLN 46 1.115 5.627 -11.562 337 H GLN 47 H GLN 47 5.117 -0.440 -9.883 338 HA GLN 47 HA GLN 47 6.458 0.100 -7.387 339 HB2 GLN 47 1HB GLN 47 6.472 -2.093 -9.415 340 HB3 GLN 47 2HB GLN 47 8.005 -1.792 -8.622 341 HG2 GLN 47 1HG GLN 47 6.640 -1.823 -6.390 342 HG3 GLN 47 2HG GLN 47 5.352 -2.540 -7.337 343 HE21 GLN 47 1HE2 GLN 47 8.861 -2.836 -6.812 344 HE22 GLN 47 2HE2 GLN 47 8.940 -4.566 -6.812 345 H GLU 48 H GLU 48 8.040 1.628 -7.267 346 HA GLU 48 HA GLU 48 9.563 2.087 -9.712 347 HB2 GLU 48 1HB GLU 48 7.880 3.930 -9.080 348 HB3 GLU 48 2HB GLU 48 8.884 4.248 -7.679 349 HG2 GLU 48 1HG GLU 48 10.819 4.263 -9.595 350 HG3 GLU 48 2HG GLU 48 9.456 4.752 -10.582 351 H ASP 49 H ASP 49 11.663 1.488 -9.423 352 HA ASP 49 HA ASP 49 12.782 0.539 -7.250 353 HB2 ASP 49 1HB ASP 49 13.818 2.024 -9.618 354 HB3 ASP 49 2HB ASP 49 14.934 1.956 -8.269 355 H GLY 50 H GLY 50 12.556 1.474 -5.184 356 HA2 GLY 50 1HA GLY 50 13.873 3.037 -3.785 357 HA3 GLY 50 2HA GLY 50 13.391 4.300 -4.901 358 H TRP 51 H TRP 51 10.693 3.747 -5.399 359 HA TRP 51 HA TRP 51 9.494 3.713 -2.720 360 HB2 TRP 51 1HB TRP 51 9.103 5.768 -4.891 361 HB3 TRP 51 2HB TRP 51 7.927 5.509 -3.618 362 HD1 TRP 51 HD TRP 51 11.623 6.650 -4.010 363 HE1 TRP 51 1HE TRP 51 12.352 8.177 -1.985 364 HE3 TRP 51 3HE TRP 51 7.336 6.058 -1.342 365 HZ2 TRP 51 2HZ TRP 51 11.082 8.948 0.452 366 HZ3 TRP 51 3HZ TRP 51 7.161 7.232 0.851 367 HH2 TRP 51 HH TRP 51 8.945 8.637 1.755 368 H LEU 52 H LEU 52 7.512 2.601 -2.634 369 HA LEU 52 HA LEU 52 6.689 1.399 -5.186 370 HB2 LEU 52 1HB LEU 52 6.229 0.177 -2.478 371 HB3 LEU 52 2HB LEU 52 6.124 -0.578 -4.056 372 HG LEU 52 HG LEU 52 8.094 -1.328 -2.827 373 HD11 LEU 52 1HD1 LEU 52 9.856 -0.561 -4.583 374 HD12 LEU 52 2HD1 LEU 52 8.452 -1.524 -5.102 375 HD13 LEU 52 3HD1 LEU 52 8.469 0.237 -5.363 376 HD21 LEU 52 1HD2 LEU 52 9.723 0.008 -1.928 377 HD22 LEU 52 2HD2 LEU 52 9.403 1.353 -3.048 378 HD23 LEU 52 3HD2 LEU 52 8.293 1.041 -1.692 379 H TYR 53 H TYR 53 4.770 2.100 -5.938 380 HA TYR 53 HA TYR 53 3.050 3.564 -4.112 381 HB2 TYR 53 1HB TYR 53 3.783 4.261 -6.501 382 HB3 TYR 53 2HB TYR 53 2.881 2.889 -7.115 383 HD1 TYR 53 2HD TYR 53 2.302 5.823 -4.835 384 HD2 TYR 53 1HD TYR 53 0.761 3.318 -7.942 385 HE1 TYR 53 2HE TYR 53 0.200 7.249 -4.953 386 HE2 TYR 53 1HE TYR 53 -1.336 4.752 -8.049 387 HH TYR 53 HH TYR 53 -1.765 7.485 -5.820 388 H GLY 54 H GLY 54 0.885 3.025 -3.647 389 HA2 GLY 54 1HA GLY 54 -0.372 0.741 -4.836 390 HA3 GLY 54 2HA GLY 54 0.238 0.399 -3.229 391 H GLU 55 H GLU 55 -2.249 0.096 -2.967 392 HA GLU 55 HA GLU 55 -3.308 2.681 -2.132 393 HB2 GLU 55 1HB GLU 55 -4.596 2.148 -4.064 394 HB3 GLU 55 2HB GLU 55 -4.687 0.447 -3.650 395 HG2 GLU 55 1HG GLU 55 -5.806 2.000 -1.467 396 HG3 GLU 55 2HG GLU 55 -6.540 2.529 -2.968 397 H ARG 56 H ARG 56 -3.211 2.639 0.080 398 HA ARG 56 HA ARG 56 -3.079 0.319 1.543 399 HB2 ARG 56 1HB ARG 56 -2.311 2.420 2.493 400 HB3 ARG 56 2HB ARG 56 -3.884 3.167 2.291 401 HG2 ARG 56 1HG ARG 56 -4.845 1.497 3.930 402 HG3 ARG 56 2HG ARG 56 -3.234 0.853 4.178 403 HD2 ARG 56 1HD ARG 56 -3.793 2.486 5.954 404 HD3 ARG 56 2HD ARG 56 -2.447 3.068 4.994 405 HE ARG 56 HE ARG 56 -4.757 4.096 3.755 406 HH11 ARG 56 2HH2 ARG 56 -3.209 4.343 6.905 407 HH12 ARG 56 1HH2 ARG 56 -3.812 5.937 7.219 408 HH21 ARG 56 2HH1 ARG 56 -5.552 6.198 4.168 409 HH22 ARG 56 1HH1 ARG 56 -5.154 6.999 5.651 410 H LEU 57 H LEU 57 -4.781 -1.159 1.045 411 HA LEU 57 HA LEU 57 -7.378 -0.714 0.619 412 HB2 LEU 57 1HB LEU 57 -6.202 -2.914 2.324 413 HB3 LEU 57 2HB LEU 57 -7.803 -2.932 1.611 414 HG LEU 57 HG LEU 57 -6.654 -4.203 0.096 415 HD11 LEU 57 1HD1 LEU 57 -5.915 -1.567 -1.154 416 HD12 LEU 57 2HD1 LEU 57 -6.536 -3.049 -1.919 417 HD13 LEU 57 3HD1 LEU 57 -7.617 -2.037 -0.932 418 HD21 LEU 57 1HD2 LEU 57 -4.412 -4.336 -0.158 419 HD22 LEU 57 2HD2 LEU 57 -4.192 -2.569 -0.171 420 HD23 LEU 57 3HD2 LEU 57 -4.417 -3.427 1.373 421 H ARG 58 H ARG 58 -5.763 -0.773 3.847 422 HA ARG 58 HA ARG 58 -7.740 -0.736 5.539 423 HB2 ARG 58 1HB ARG 58 -5.221 -0.175 5.902 424 HB3 ARG 58 2HB ARG 58 -5.668 1.501 5.655 425 HG2 ARG 58 1HG ARG 58 -7.202 1.451 7.559 426 HG3 ARG 58 2HG ARG 58 -7.022 -0.285 7.727 427 HD2 ARG 58 1HD ARG 58 -4.552 0.068 8.204 428 HD3 ARG 58 2HD ARG 58 -4.826 1.799 8.158 429 HE ARG 58 HE ARG 58 -5.827 1.679 10.273 430 HH11 ARG 58 2HH2 ARG 58 -5.654 -1.552 8.888 431 HH12 ARG 58 1HH2 ARG 58 -6.172 -2.341 10.341 432 HH21 ARG 58 2HH1 ARG 58 -6.511 0.638 12.189 433 HH22 ARG 58 1HH1 ARG 58 -6.663 -1.087 12.231 434 H ASP 59 H ASP 59 -6.563 2.399 4.087 435 HA ASP 59 HA ASP 59 -9.277 3.389 4.460 436 HB2 ASP 59 1HB ASP 59 -6.633 4.507 4.981 437 HB3 ASP 59 2HB ASP 59 -7.489 5.534 3.849 438 H GLY 60 H GLY 60 -8.056 1.747 2.177 439 HA2 GLY 60 1HA GLY 60 -7.810 1.783 -0.073 440 HA3 GLY 60 2HA GLY 60 -9.281 2.733 -0.006 441 H GLU 61 H GLU 61 -6.265 3.934 1.455 442 HA GLU 61 HA GLU 61 -6.386 6.174 -0.313 443 HB2 GLU 61 1HB GLU 61 -5.353 5.613 2.323 444 HB3 GLU 61 2HB GLU 61 -4.042 6.251 1.350 445 HG2 GLU 61 1HG GLU 61 -6.039 7.970 0.606 446 HG3 GLU 61 2HG GLU 61 -6.580 7.579 2.226 447 H THR 62 H THR 62 -5.001 6.640 -2.020 448 HA THR 62 HA THR 62 -2.977 4.579 -2.589 449 HB THR 62 HB THR 62 -4.010 6.434 -4.715 450 HG1 THR 62 1HG THR 62 -5.451 4.243 -3.392 451 HG21 THR 62 1HG2 THR 62 -4.377 3.946 -5.675 452 HG22 THR 62 2HG2 THR 62 -2.764 4.697 -5.688 453 HG23 THR 62 3HG2 THR 62 -3.196 3.538 -4.408 454 H GLY 63 H GLY 63 -0.991 5.181 -1.995 455 HA2 GLY 63 1HA GLY 63 -0.075 7.826 -2.864 456 HA3 GLY 63 2HA GLY 63 0.039 7.433 -1.160 457 H TRP 64 H TRP 64 2.438 7.884 -1.935 458 HA TRP 64 HA TRP 64 3.598 5.480 -3.115 459 HB2 TRP 64 1HB TRP 64 4.564 8.291 -2.678 460 HB3 TRP 64 2HB TRP 64 5.702 6.989 -2.963 461 HD1 TRP 64 HD TRP 64 3.137 9.139 -4.799 462 HE1 TRP 64 1HE TRP 64 3.208 8.737 -7.406 463 HE3 TRP 64 3HE TRP 64 6.218 5.097 -4.622 464 HZ2 TRP 64 2HZ TRP 64 4.516 6.818 -9.065 465 HZ3 TRP 64 3HZ TRP 64 6.843 4.018 -6.781 466 HH2 TRP 64 HH TRP 64 6.045 4.816 -8.949 467 H PHE 65 H PHE 65 4.591 3.961 -1.839 468 HA PHE 65 HA PHE 65 5.339 4.800 0.868 469 HB2 PHE 65 1HB PHE 65 4.241 2.835 1.733 470 HB3 PHE 65 2HB PHE 65 3.111 3.429 0.533 471 HD1 PHE 65 1HD PHE 65 5.960 1.050 0.888 472 HD2 PHE 65 2HD PHE 65 2.331 1.984 -1.104 473 HE1 PHE 65 1HE PHE 65 6.026 -1.173 -0.275 474 HE2 PHE 65 2HE PHE 65 2.398 -0.239 -2.267 475 HZ PHE 65 HZ PHE 65 4.245 -1.791 -1.839 476 HA PRO 66 HA PRO 66 9.040 2.838 -0.317 477 HB2 PRO 66 1HB PRO 66 10.401 3.087 2.040 478 HB3 PRO 66 2HB PRO 66 10.305 4.369 0.849 479 HG2 PRO 66 1HG PRO 66 8.893 4.133 3.435 480 HG3 PRO 66 2HG PRO 66 9.145 5.559 2.448 481 HD2 PRO 66 1HD PRO 66 6.723 4.040 2.684 482 HD3 PRO 66 2HD PRO 66 7.010 5.395 1.610 483 H GLU 67 H GLU 67 10.110 0.862 -0.299 484 HA GLU 67 HA GLU 67 8.518 -1.174 0.744 485 HB2 GLU 67 1HB GLU 67 10.603 -2.602 0.120 486 HB3 GLU 67 2HB GLU 67 9.767 -1.755 -1.166 487 HG2 GLU 67 1HG GLU 67 11.605 -0.511 -1.646 488 HG3 GLU 67 2HG GLU 67 11.763 0.006 0.022 489 H ASP 68 H ASP 68 11.422 0.546 1.921 490 HA ASP 68 HA ASP 68 12.328 -1.156 3.795 491 HB2 ASP 68 1HB ASP 68 13.146 1.208 3.172 492 HB3 ASP 68 2HB ASP 68 11.934 1.831 4.274 493 H PHE 69 H PHE 69 9.304 0.680 3.694 494 HA PHE 69 HA PHE 69 8.761 -0.021 6.486 495 HB2 PHE 69 1HB PHE 69 7.533 1.948 4.466 496 HB3 PHE 69 2HB PHE 69 6.876 1.706 6.072 497 HD1 PHE 69 1HD PHE 69 10.063 2.636 4.373 498 HD2 PHE 69 2HD PHE 69 7.606 3.058 7.807 499 HE1 PHE 69 1HE PHE 69 11.624 4.381 5.275 500 HE2 PHE 69 2HE PHE 69 9.168 4.803 8.710 501 HZ PHE 69 HZ PHE 69 11.158 5.444 7.433 502 H ALA 70 H ALA 70 8.691 -2.098 4.510 503 HA ALA 70 HA ALA 70 6.138 -3.130 4.992 504 HB1 ALA 70 1HB ALA 70 6.337 -2.759 2.058 505 HB2 ALA 70 2HB ALA 70 4.919 -2.668 3.130 506 HB3 ALA 70 3HB ALA 70 6.013 -1.272 2.980 507 H ARG 71 H ARG 71 5.931 -5.336 4.082 508 HA ARG 71 HA ARG 71 8.500 -6.287 3.100 509 HB2 ARG 71 1HB ARG 71 6.856 -7.208 5.431 510 HB3 ARG 71 2HB ARG 71 7.521 -8.487 4.435 511 HG2 ARG 71 1HG ARG 71 9.751 -6.965 4.640 512 HG3 ARG 71 2HG ARG 71 8.957 -6.439 6.111 513 HD2 ARG 71 1HD ARG 71 9.958 -8.292 7.029 514 HD3 ARG 71 2HD ARG 71 8.594 -9.148 6.338 515 HE ARG 71 HE ARG 71 10.707 -8.853 4.380 516 HH11 ARG 71 2HH2 ARG 71 9.776 -10.715 7.216 517 HH12 ARG 71 1HH2 ARG 71 10.717 -12.100 6.773 518 HH21 ARG 71 2HH1 ARG 71 11.949 -10.679 3.795 519 HH22 ARG 71 1HH1 ARG 71 11.962 -12.080 4.814 520 H PHE 72 H PHE 72 8.212 -7.110 1.053 521 HA PHE 72 HA PHE 72 5.775 -7.490 -0.141 522 HB2 PHE 72 1HB PHE 72 8.655 -8.244 -0.521 523 HB3 PHE 72 2HB PHE 72 7.542 -9.276 -1.396 524 HD1 PHE 72 2HD PHE 72 5.991 -8.256 -3.078 525 HD2 PHE 72 1HD PHE 72 9.112 -6.033 -1.255 526 HE1 PHE 72 2HE PHE 72 5.831 -6.537 -4.901 527 HE2 PHE 72 1HE PHE 72 8.952 -4.315 -3.078 528 HZ PHE 72 HZ PHE 72 7.314 -4.587 -4.879 529 H ILE 73 H ILE 73 4.182 -8.790 0.705 530 HA ILE 73 HA ILE 73 4.666 -11.119 2.147 531 HB ILE 73 HB ILE 73 2.225 -10.211 0.620 532 HG12 ILE 73 1HG1 ILE 73 3.146 -9.786 3.471 533 HG13 ILE 73 2HG1 ILE 73 2.837 -8.569 2.249 534 HG21 ILE 73 1HG2 ILE 73 2.612 -12.746 1.483 535 HG22 ILE 73 2HG2 ILE 73 1.934 -12.007 2.952 536 HG23 ILE 73 3HG2 ILE 73 1.026 -11.941 1.423 537 HD11 ILE 73 1HD1 ILE 73 0.685 -10.476 3.265 538 HD12 ILE 73 2HD1 ILE 73 0.975 -8.863 3.960 539 HD13 ILE 73 3HD1 ILE 73 0.455 -9.022 2.265 540 H SER 74 H SER 74 3.417 -10.799 -1.257 541 HA SER 74 HA SER 74 4.917 -13.220 -1.834 542 HB2 SER 74 1HB SER 74 2.081 -13.076 -1.650 543 HB3 SER 74 2HB SER 74 2.438 -13.136 -3.365 544 HG SER 74 HG SER 74 4.048 -14.962 -2.409 545 H GLY 75 H GLY 75 6.499 -12.105 -3.043 546 HA2 GLY 75 1HA GLY 75 5.512 -10.880 -5.535 547 HA3 GLY 75 2HA GLY 75 6.657 -10.021 -4.524 548 HA PRO 76 HA PRO 76 9.326 -12.402 -7.189 549 HB2 PRO 76 1HB PRO 76 11.324 -10.546 -7.365 550 HB3 PRO 76 2HB PRO 76 9.982 -10.618 -8.489 551 HG2 PRO 76 1HG PRO 76 10.455 -8.702 -6.288 552 HG3 PRO 76 2HG PRO 76 9.379 -8.551 -7.663 553 HD2 PRO 76 1HD PRO 76 8.638 -9.179 -4.964 554 HD3 PRO 76 2HD PRO 76 7.579 -9.142 -6.360 555 H SER 77 H SER 77 10.234 -14.128 -6.280 556 HA SER 77 HA SER 77 12.264 -13.473 -4.318 557 HB2 SER 77 1HB SER 77 9.941 -15.393 -3.924 558 HB3 SER 77 2HB SER 77 11.419 -15.543 -2.994 559 HG SER 77 HG SER 77 10.669 -14.014 -1.712 560 H SER 78 H SER 78 14.076 -14.875 -4.393 561 HA SER 78 HA SER 78 13.853 -16.971 -6.411 562 HB2 SER 78 1HB SER 78 16.020 -14.941 -5.861 563 HB3 SER 78 2HB SER 78 16.478 -16.499 -6.520 564 HG SER 78 HG SER 78 15.937 -14.678 -8.079 565 H GLY 79 H GLY 79 13.472 -18.727 -5.003 566 HA2 GLY 79 1HA GLY 79 15.758 -19.504 -3.356 567 HA3 GLY 79 2HA GLY 79 14.221 -19.294 -2.540 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -11.234 20.855 -0.435 2 HA2 GLY 1 1HA GLY 1 -12.009 21.522 -3.200 3 HA3 GLY 1 2HA GLY 1 -11.591 19.876 -2.769 4 H SER 2 H SER 2 -13.924 19.566 -3.571 5 HA SER 2 HA SER 2 -15.633 19.757 -1.234 6 HB2 SER 2 1HB SER 2 -17.490 20.619 -2.444 7 HB3 SER 2 2HB SER 2 -16.133 21.608 -2.947 8 HG SER 2 HG SER 2 -17.180 21.033 -4.841 9 H SER 3 H SER 3 -17.651 18.255 -1.560 10 HA SER 3 HA SER 3 -16.630 15.828 -2.767 11 HB2 SER 3 1HB SER 3 -17.380 15.857 -0.352 12 HB3 SER 3 2HB SER 3 -19.009 16.204 -0.896 13 HG SER 3 HG SER 3 -18.907 13.974 -0.634 14 H GLY 4 H GLY 4 -18.453 14.347 -3.758 15 HA2 GLY 4 1HA GLY 4 -20.708 15.728 -4.906 16 HA3 GLY 4 2HA GLY 4 -19.431 15.394 -6.059 17 H SER 5 H SER 5 -20.422 13.772 -7.281 18 HA SER 5 HA SER 5 -21.166 11.403 -5.750 19 HB2 SER 5 1HB SER 5 -22.732 10.847 -7.567 20 HB3 SER 5 2HB SER 5 -23.087 12.436 -6.920 21 HG SER 5 HG SER 5 -21.288 12.298 -9.126 22 H SER 6 H SER 6 -20.660 9.290 -6.800 23 HA SER 6 HA SER 6 -19.284 7.901 -7.742 24 HB2 SER 6 1HB SER 6 -19.822 9.895 -9.835 25 HB3 SER 6 2HB SER 6 -18.275 9.108 -10.074 26 HG SER 6 HG SER 6 -19.742 7.779 -11.098 27 H GLY 7 H GLY 7 -16.902 7.528 -8.465 28 HA2 GLY 7 1HA GLY 7 -14.947 9.503 -8.258 29 HA3 GLY 7 2HA GLY 7 -15.184 8.845 -6.651 30 H TRP 8 H TRP 8 -13.694 8.388 -9.731 31 HA TRP 8 HA TRP 8 -13.011 5.622 -8.997 32 HB2 TRP 8 1HB TRP 8 -13.639 6.909 -11.605 33 HB3 TRP 8 2HB TRP 8 -12.369 5.701 -11.590 34 HD1 TRP 8 HD TRP 8 -16.161 6.020 -11.294 35 HE1 TRP 8 1HE TRP 8 -17.345 3.662 -11.278 36 HE3 TRP 8 3HE TRP 8 -11.894 3.295 -10.821 37 HZ2 TRP 8 2HZ TRP 8 -16.386 0.982 -11.074 38 HZ3 TRP 8 3HZ TRP 8 -12.106 0.813 -10.721 39 HH2 TRP 8 HH TRP 8 -14.255 -0.346 -10.839 40 H GLN 9 H GLN 9 -11.762 8.441 -10.943 41 HA GLN 9 HA GLN 9 -9.816 9.399 -11.031 42 HB2 GLN 9 1HB GLN 9 -10.228 9.436 -8.444 43 HB3 GLN 9 2HB GLN 9 -8.992 8.196 -8.371 44 HG2 GLN 9 1HG GLN 9 -8.129 10.397 -10.098 45 HG3 GLN 9 2HG GLN 9 -8.594 11.004 -8.521 46 HE21 GLN 9 1HE2 GLN 9 -6.616 8.617 -10.207 47 HE22 GLN 9 2HE2 GLN 9 -5.380 8.447 -9.006 48 H GLY 10 H GLY 10 -9.200 8.040 -12.831 49 HA2 GLY 10 1HA GLY 10 -7.744 6.723 -13.927 50 HA3 GLY 10 2HA GLY 10 -6.754 6.684 -12.482 51 H LEU 11 H LEU 11 -9.075 4.970 -14.458 52 HA LEU 11 HA LEU 11 -9.877 3.053 -12.557 53 HB2 LEU 11 1HB LEU 11 -10.291 3.651 -15.334 54 HB3 LEU 11 2HB LEU 11 -9.940 1.943 -15.157 55 HG LEU 11 HG LEU 11 -11.932 3.081 -13.262 56 HD11 LEU 11 1HD1 LEU 11 -13.708 3.281 -14.766 57 HD12 LEU 11 2HD1 LEU 11 -12.361 4.121 -15.572 58 HD13 LEU 11 3HD1 LEU 11 -12.816 2.477 -16.080 59 HD21 LEU 11 1HD2 LEU 11 -11.850 0.530 -14.897 60 HD22 LEU 11 2HD2 LEU 11 -11.307 0.711 -13.212 61 HD23 LEU 11 3HD2 LEU 11 -13.025 0.931 -13.622 62 H SER 12 H SER 12 -8.396 1.893 -11.421 63 HA SER 12 HA SER 12 -6.247 0.720 -13.007 64 HB2 SER 12 1HB SER 12 -6.287 2.046 -10.360 65 HB3 SER 12 2HB SER 12 -5.438 0.513 -10.352 66 HG SER 12 HG SER 12 -4.923 2.465 -12.406 67 H SER 13 H SER 13 -7.653 -1.103 -13.573 68 HA SER 13 HA SER 13 -9.082 -2.556 -11.746 69 HB2 SER 13 1HB SER 13 -8.131 -2.873 -14.501 70 HB3 SER 13 2HB SER 13 -8.156 -4.413 -13.665 71 HG SER 13 HG SER 13 -10.425 -3.717 -12.967 72 H LYS 14 H LYS 14 -8.604 -4.289 -10.346 73 HA LYS 14 HA LYS 14 -5.738 -4.840 -10.045 74 HB2 LYS 14 1HB LYS 14 -6.178 -5.281 -7.722 75 HB3 LYS 14 2HB LYS 14 -6.842 -3.713 -8.136 76 HG2 LYS 14 1HG LYS 14 -8.740 -5.976 -8.510 77 HG3 LYS 14 2HG LYS 14 -8.237 -5.730 -6.850 78 HD2 LYS 14 1HD LYS 14 -9.102 -3.516 -6.774 79 HD3 LYS 14 2HD LYS 14 -9.112 -3.354 -8.519 80 HE2 LYS 14 1HE LYS 14 -11.273 -4.036 -8.560 81 HE3 LYS 14 2HE LYS 14 -10.787 -5.595 -7.925 82 HZ1 LYS 14 1HZ LYS 14 -11.613 -3.229 -6.411 83 HZ2 LYS 14 2HZ LYS 14 -12.283 -4.719 -6.403 84 HZ3 LYS 14 3HZ LYS 14 -10.832 -4.473 -5.696 85 H GLY 15 H GLY 15 -5.288 -7.127 -9.150 86 HA2 GLY 15 1HA GLY 15 -7.227 -9.129 -9.986 87 HA3 GLY 15 2HA GLY 15 -5.748 -9.057 -10.924 88 H ASP 16 H ASP 16 -3.623 -9.160 -9.677 89 HA ASP 16 HA ASP 16 -3.932 -10.453 -7.111 90 HB2 ASP 16 1HB ASP 16 -2.801 -11.674 -9.619 91 HB3 ASP 16 2HB ASP 16 -1.963 -12.021 -8.120 92 H LEU 17 H LEU 17 -3.000 -7.790 -8.045 93 HA LEU 17 HA LEU 17 -0.306 -7.550 -8.435 94 HB2 LEU 17 1HB LEU 17 -2.367 -5.821 -7.110 95 HB3 LEU 17 2HB LEU 17 -0.684 -5.331 -7.126 96 HG LEU 17 HG LEU 17 -2.338 -5.936 -9.593 97 HD11 LEU 17 1HD1 LEU 17 -1.429 -3.219 -8.627 98 HD12 LEU 17 2HD1 LEU 17 -2.555 -3.604 -9.951 99 HD13 LEU 17 3HD1 LEU 17 -3.031 -3.902 -8.262 100 HD21 LEU 17 1HD2 LEU 17 0.047 -4.338 -10.000 101 HD22 LEU 17 2HD2 LEU 17 0.438 -5.922 -9.287 102 HD23 LEU 17 3HD2 LEU 17 -0.481 -5.834 -10.809 103 HA PRO 18 HA PRO 18 1.611 -8.594 -4.714 104 HB2 PRO 18 1HB PRO 18 3.737 -6.881 -4.586 105 HB3 PRO 18 2HB PRO 18 3.718 -8.311 -5.599 106 HG2 PRO 18 1HG PRO 18 3.418 -5.477 -6.386 107 HG3 PRO 18 2HG PRO 18 3.824 -6.857 -7.387 108 HD2 PRO 18 1HD PRO 18 1.282 -5.535 -7.234 109 HD3 PRO 18 2HD PRO 18 1.657 -6.984 -8.145 110 H GLN 19 H GLN 19 1.727 -8.316 -2.486 111 HA GLN 19 HA GLN 19 0.789 -5.668 -1.706 112 HB2 GLN 19 1HB GLN 19 -0.203 -8.393 -0.813 113 HB3 GLN 19 2HB GLN 19 -0.405 -6.988 0.215 114 HG2 GLN 19 1HG GLN 19 -1.586 -5.801 -1.657 115 HG3 GLN 19 2HG GLN 19 -1.404 -7.224 -2.664 116 HE21 GLN 19 1HE2 GLN 19 -3.573 -7.561 -2.900 117 HE22 GLN 19 2HE2 GLN 19 -4.611 -8.133 -1.636 118 H VAL 20 H VAL 20 1.677 -4.813 0.239 119 HA VAL 20 HA VAL 20 3.746 -6.490 1.474 120 HB VAL 20 HB VAL 20 5.183 -4.537 1.617 121 HG11 VAL 20 1HG1 VAL 20 4.921 -4.247 -1.201 122 HG12 VAL 20 2HG1 VAL 20 6.056 -5.275 -0.296 123 HG13 VAL 20 3HG1 VAL 20 4.474 -5.921 -0.793 124 HG21 VAL 20 1HG2 VAL 20 3.530 -2.955 -0.299 125 HG22 VAL 20 2HG2 VAL 20 3.010 -2.987 1.403 126 HG23 VAL 20 3HG2 VAL 20 4.641 -2.411 0.982 127 H GLU 21 H GLU 21 3.928 -6.318 3.725 128 HA GLU 21 HA GLU 21 1.684 -4.932 4.922 129 HB2 GLU 21 1HB GLU 21 1.985 -7.345 5.430 130 HB3 GLU 21 2HB GLU 21 3.583 -7.024 6.074 131 HG2 GLU 21 1HG GLU 21 2.729 -5.823 7.949 132 HG3 GLU 21 2HG GLU 21 1.173 -5.553 7.188 133 H ILE 22 H ILE 22 2.016 -2.933 5.784 134 HA ILE 22 HA ILE 22 4.590 -1.848 6.037 135 HB ILE 22 HB ILE 22 1.952 -0.922 7.180 136 HG12 ILE 22 1HG1 ILE 22 1.758 -1.194 4.797 137 HG13 ILE 22 2HG1 ILE 22 1.856 0.515 5.170 138 HG21 ILE 22 1HG2 ILE 22 4.604 0.076 7.553 139 HG22 ILE 22 2HG2 ILE 22 3.695 1.232 6.551 140 HG23 ILE 22 3HG2 ILE 22 3.060 0.740 8.139 141 HD11 ILE 22 1HD1 ILE 22 3.301 0.014 3.251 142 HD12 ILE 22 2HD1 ILE 22 4.313 0.472 4.641 143 HD13 ILE 22 3HD1 ILE 22 4.152 -1.241 4.185 144 H THR 23 H THR 23 6.078 -2.661 7.429 145 HA THR 23 HA THR 23 5.416 -4.015 9.793 146 HB THR 23 HB THR 23 7.835 -4.011 10.116 147 HG1 THR 23 1HG THR 23 7.786 -1.912 8.071 148 HG21 THR 23 1HG2 THR 23 6.700 -4.561 7.523 149 HG22 THR 23 2HG2 THR 23 8.250 -3.725 7.265 150 HG23 THR 23 3HG2 THR 23 8.197 -5.227 8.218 151 H LYS 24 H LYS 24 6.517 -0.612 9.237 152 HA LYS 24 HA LYS 24 5.368 -0.017 11.870 153 HB2 LYS 24 1HB LYS 24 7.195 1.400 12.430 154 HB3 LYS 24 2HB LYS 24 7.870 -0.143 11.949 155 HG2 LYS 24 1HG LYS 24 7.545 1.666 9.647 156 HG3 LYS 24 2HG LYS 24 8.547 2.380 10.895 157 HD2 LYS 24 1HD LYS 24 9.588 -0.157 10.857 158 HD3 LYS 24 2HD LYS 24 9.059 -0.028 9.191 159 HE2 LYS 24 1HE LYS 24 11.049 1.036 8.832 160 HE3 LYS 24 2HE LYS 24 10.272 2.434 9.549 161 HZ1 LYS 24 1HZ LYS 24 11.623 0.430 11.201 162 HZ2 LYS 24 2HZ LYS 24 12.434 1.685 10.543 163 HZ3 LYS 24 3HZ LYS 24 11.220 1.962 11.599 164 H ALA 25 H ALA 25 4.561 2.204 12.086 165 HA ALA 25 HA ALA 25 3.050 2.980 9.895 166 HB1 ALA 25 1HB ALA 25 2.424 3.546 12.163 167 HB2 ALA 25 2HB ALA 25 3.927 4.469 12.399 168 HB3 ALA 25 3HB ALA 25 2.687 5.063 11.270 169 H PHE 26 H PHE 26 3.245 4.691 8.374 170 HA PHE 26 HA PHE 26 5.971 5.762 8.163 171 HB2 PHE 26 1HB PHE 26 5.603 4.119 6.392 172 HB3 PHE 26 2HB PHE 26 3.951 4.651 6.146 173 HD1 PHE 26 1HD PHE 26 7.194 6.507 6.241 174 HD2 PHE 26 2HD PHE 26 3.736 5.477 4.008 175 HE1 PHE 26 1HE PHE 26 7.954 8.003 4.374 176 HE2 PHE 26 2HE PHE 26 4.495 6.974 2.141 177 HZ PHE 26 HZ PHE 26 6.595 8.219 2.347 178 H PHE 27 H PHE 27 5.355 7.709 9.289 179 HA PHE 27 HA PHE 27 3.100 9.202 8.639 180 HB2 PHE 27 1HB PHE 27 5.901 10.004 9.636 181 HB3 PHE 27 2HB PHE 27 4.483 11.024 9.780 182 HD1 PHE 27 1HD PHE 27 2.429 9.115 10.662 183 HD2 PHE 27 2HD PHE 27 6.500 9.459 11.809 184 HE1 PHE 27 1HE PHE 27 1.895 8.060 12.876 185 HE2 PHE 27 2HE PHE 27 5.966 8.404 14.023 186 HZ PHE 27 HZ PHE 27 3.670 7.717 14.530 187 H ALA 28 H ALA 28 2.731 9.603 6.450 188 HA ALA 28 HA ALA 28 4.659 10.197 4.572 189 HB1 ALA 28 1HB ALA 28 1.740 10.325 4.855 190 HB2 ALA 28 2HB ALA 28 2.379 11.581 3.769 191 HB3 ALA 28 3HB ALA 28 2.729 9.866 3.449 192 H LYS 29 H LYS 29 5.801 12.013 3.987 193 HA LYS 29 HA LYS 29 5.299 14.383 5.643 194 HB2 LYS 29 1HB LYS 29 7.602 14.878 5.536 195 HB3 LYS 29 2HB LYS 29 7.504 13.164 5.882 196 HG2 LYS 29 1HG LYS 29 8.879 12.853 4.098 197 HG3 LYS 29 2HG LYS 29 7.493 13.213 3.089 198 HD2 LYS 29 1HD LYS 29 8.750 14.935 2.276 199 HD3 LYS 29 2HD LYS 29 8.339 15.762 3.766 200 HE2 LYS 29 1HE LYS 29 10.611 13.894 4.093 201 HE3 LYS 29 2HE LYS 29 10.928 15.138 2.900 202 HZ1 LYS 29 1HZ LYS 29 10.723 15.381 5.704 203 HZ2 LYS 29 2HZ LYS 29 11.339 16.435 4.619 204 HZ3 LYS 29 3HZ LYS 29 9.740 16.449 4.954 205 H GLN 30 H GLN 30 5.694 13.077 2.349 206 HA GLN 30 HA GLN 30 5.406 15.744 1.279 207 HB2 GLN 30 1HB GLN 30 6.172 13.053 0.153 208 HB3 GLN 30 2HB GLN 30 5.545 14.267 -0.944 209 HG2 GLN 30 1HG GLN 30 7.356 15.765 0.512 210 HG3 GLN 30 2HG GLN 30 8.139 14.197 0.524 211 HE21 GLN 30 1HE2 GLN 30 6.911 16.810 -1.440 212 HE22 GLN 30 2HE2 GLN 30 7.735 16.423 -2.914 213 H ALA 31 H ALA 31 3.899 15.632 -0.914 214 HA ALA 31 HA ALA 31 1.285 14.935 0.142 215 HB1 ALA 31 1HB ALA 31 1.998 17.189 -0.943 216 HB2 ALA 31 2HB ALA 31 1.871 16.313 -2.488 217 HB3 ALA 31 3HB ALA 31 0.445 16.471 -1.434 218 H ASP 32 H ASP 32 3.743 13.434 -1.612 219 HA ASP 32 HA ASP 32 1.906 12.081 -3.382 220 HB2 ASP 32 1HB ASP 32 4.221 10.875 -3.951 221 HB3 ASP 32 2HB ASP 32 3.849 12.463 -4.591 222 H GLU 33 H GLU 33 3.593 11.785 -0.317 223 HA GLU 33 HA GLU 33 3.532 8.928 -0.309 224 HB2 GLU 33 1HB GLU 33 4.224 10.966 1.851 225 HB3 GLU 33 2HB GLU 33 4.361 9.232 2.066 226 HG2 GLU 33 1HG GLU 33 6.163 9.040 0.577 227 HG3 GLU 33 2HG GLU 33 5.692 10.451 -0.350 228 H VAL 34 H VAL 34 2.544 7.886 1.845 229 HA VAL 34 HA VAL 34 0.052 9.207 2.562 230 HB VAL 34 HB VAL 34 -0.638 7.945 0.681 231 HG11 VAL 34 1HG1 VAL 34 -0.219 5.461 0.541 232 HG12 VAL 34 2HG1 VAL 34 1.221 6.482 0.318 233 HG13 VAL 34 3HG1 VAL 34 0.951 5.651 1.869 234 HG21 VAL 34 1HG2 VAL 34 -2.427 6.961 1.649 235 HG22 VAL 34 2HG2 VAL 34 -1.426 5.911 2.681 236 HG23 VAL 34 3HG2 VAL 34 -1.726 7.601 3.154 237 H THR 35 H THR 35 -0.608 8.735 4.665 238 HA THR 35 HA THR 35 1.391 7.577 6.340 239 HB THR 35 HB THR 35 -1.458 8.274 7.147 240 HG1 THR 35 1HG THR 35 0.837 10.027 6.623 241 HG21 THR 35 1HG2 THR 35 -0.534 8.504 9.231 242 HG22 THR 35 2HG2 THR 35 0.911 7.695 8.579 243 HG23 THR 35 3HG2 THR 35 0.814 9.472 8.586 244 H LEU 36 H LEU 36 1.519 5.609 7.317 245 HA LEU 36 HA LEU 36 -0.716 3.782 6.821 246 HB2 LEU 36 1HB LEU 36 2.141 2.896 6.550 247 HB3 LEU 36 2HB LEU 36 0.679 2.064 6.059 248 HG LEU 36 HG LEU 36 1.362 4.680 4.758 249 HD11 LEU 36 1HD1 LEU 36 2.506 2.107 3.692 250 HD12 LEU 36 2HD1 LEU 36 2.914 3.787 3.270 251 HD13 LEU 36 3HD1 LEU 36 3.413 3.118 4.842 252 HD21 LEU 36 1HD2 LEU 36 -0.659 3.999 3.945 253 HD22 LEU 36 2HD2 LEU 36 0.419 3.181 2.788 254 HD23 LEU 36 3HD2 LEU 36 -0.288 2.269 4.143 255 H GLN 37 H GLN 37 -0.727 1.911 8.342 256 HA GLN 37 HA GLN 37 0.479 2.758 10.858 257 HB2 GLN 37 1HB GLN 37 -2.115 1.323 10.219 258 HB3 GLN 37 2HB GLN 37 -1.404 1.204 11.816 259 HG2 GLN 37 1HG GLN 37 -2.059 3.838 10.411 260 HG3 GLN 37 2HG GLN 37 -3.087 3.072 11.607 261 HE21 GLN 37 1HE2 GLN 37 -0.347 5.015 11.011 262 HE22 GLN 37 2HE2 GLN 37 0.164 5.293 12.642 263 H GLN 38 H GLN 38 1.044 0.904 12.394 264 HA GLN 38 HA GLN 38 2.754 -0.835 11.074 265 HB2 GLN 38 1HB GLN 38 3.169 -0.108 13.369 266 HB3 GLN 38 2HB GLN 38 1.679 -0.843 13.925 267 HG2 GLN 38 1HG GLN 38 3.134 -2.901 12.564 268 HG3 GLN 38 2HG GLN 38 4.293 -2.067 13.581 269 HE21 GLN 38 1HE2 GLN 38 3.937 -4.522 14.275 270 HE22 GLN 38 2HE2 GLN 38 2.930 -4.731 15.669 271 H ALA 39 H ALA 39 2.468 -2.857 10.197 272 HA ALA 39 HA ALA 39 1.534 -4.799 9.678 273 HB1 ALA 39 1HB ALA 39 0.926 -5.896 11.539 274 HB2 ALA 39 2HB ALA 39 0.708 -4.350 12.394 275 HB3 ALA 39 3HB ALA 39 -0.652 -5.073 11.502 276 H ASP 40 H ASP 40 0.848 -2.572 8.213 277 HA ASP 40 HA ASP 40 -2.037 -2.814 7.925 278 HB2 ASP 40 1HB ASP 40 -0.019 -0.658 7.280 279 HB3 ASP 40 2HB ASP 40 -1.486 -0.732 6.324 280 H VAL 41 H VAL 41 -2.870 -2.988 5.644 281 HA VAL 41 HA VAL 41 -0.898 -4.305 3.916 282 HB VAL 41 HB VAL 41 -3.913 -4.539 3.962 283 HG11 VAL 41 1HG1 VAL 41 -3.373 -6.621 2.574 284 HG12 VAL 41 2HG1 VAL 41 -3.199 -5.043 1.768 285 HG13 VAL 41 3HG1 VAL 41 -1.756 -5.912 2.345 286 HG21 VAL 41 1HG2 VAL 41 -3.520 -6.786 4.928 287 HG22 VAL 41 2HG2 VAL 41 -1.784 -6.410 5.055 288 HG23 VAL 41 3HG2 VAL 41 -2.969 -5.476 6.001 289 H VAL 42 H VAL 42 -0.658 -3.647 1.760 290 HA VAL 42 HA VAL 42 -2.359 -1.474 0.843 291 HB VAL 42 HB VAL 42 0.628 -1.304 1.234 292 HG11 VAL 42 1HG1 VAL 42 -1.131 0.548 -0.410 293 HG12 VAL 42 2HG1 VAL 42 0.591 0.795 -0.033 294 HG13 VAL 42 3HG1 VAL 42 0.091 -0.575 -1.054 295 HG21 VAL 42 1HG2 VAL 42 -1.546 0.652 2.035 296 HG22 VAL 42 2HG2 VAL 42 -0.939 -0.637 3.102 297 HG23 VAL 42 3HG2 VAL 42 0.162 0.643 2.539 298 H LEU 43 H LEU 43 -2.890 -1.767 -1.273 299 HA LEU 43 HA LEU 43 -1.618 -3.984 -2.628 300 HB2 LEU 43 1HB LEU 43 -4.087 -3.701 -2.486 301 HB3 LEU 43 2HB LEU 43 -3.949 -2.257 -3.468 302 HG LEU 43 HG LEU 43 -2.742 -3.880 -5.164 303 HD11 LEU 43 1HD1 LEU 43 -4.600 -5.899 -3.946 304 HD12 LEU 43 2HD1 LEU 43 -3.233 -6.134 -5.062 305 HD13 LEU 43 3HD1 LEU 43 -2.929 -5.743 -3.352 306 HD21 LEU 43 1HD2 LEU 43 -4.549 -3.404 -6.357 307 HD22 LEU 43 2HD2 LEU 43 -5.531 -4.541 -5.401 308 HD23 LEU 43 3HD2 LEU 43 -5.352 -2.853 -4.867 309 H VAL 44 H VAL 44 0.259 -3.607 -3.680 310 HA VAL 44 HA VAL 44 1.136 -1.067 -4.403 311 HB VAL 44 HB VAL 44 1.916 -3.820 -5.380 312 HG11 VAL 44 1HG1 VAL 44 2.589 -1.454 -6.609 313 HG12 VAL 44 2HG1 VAL 44 3.942 -1.686 -5.475 314 HG13 VAL 44 3HG1 VAL 44 3.549 -2.953 -6.662 315 HG21 VAL 44 1HG2 VAL 44 3.936 -3.060 -3.779 316 HG22 VAL 44 2HG2 VAL 44 2.608 -2.166 -3.000 317 HG23 VAL 44 3HG2 VAL 44 2.505 -3.933 -3.182 318 H LEU 45 H LEU 45 1.075 0.122 -6.320 319 HA LEU 45 HA LEU 45 -0.686 -1.002 -8.387 320 HB2 LEU 45 1HB LEU 45 -0.528 1.786 -7.257 321 HB3 LEU 45 2HB LEU 45 -1.249 1.449 -8.819 322 HG LEU 45 HG LEU 45 -2.200 -0.049 -6.393 323 HD11 LEU 45 1HD1 LEU 45 -2.860 1.807 -5.367 324 HD12 LEU 45 2HD1 LEU 45 -2.347 2.822 -6.736 325 HD13 LEU 45 3HD1 LEU 45 -3.971 2.092 -6.728 326 HD21 LEU 45 1HD2 LEU 45 -3.406 0.746 -9.047 327 HD22 LEU 45 2HD2 LEU 45 -3.075 -0.887 -8.422 328 HD23 LEU 45 3HD2 LEU 45 -4.369 0.098 -7.698 329 H GLN 46 H GLN 46 2.163 1.032 -7.572 330 HA GLN 46 HA GLN 46 3.203 0.338 -10.179 331 HB2 GLN 46 1HB GLN 46 2.392 3.042 -9.352 332 HB3 GLN 46 2HB GLN 46 4.076 2.985 -9.833 333 HG2 GLN 46 1HG GLN 46 3.578 2.527 -12.036 334 HG3 GLN 46 2HG GLN 46 2.235 1.478 -11.628 335 HE21 GLN 46 1HE2 GLN 46 0.210 2.220 -11.645 336 HE22 GLN 46 2HE2 GLN 46 -0.269 3.848 -11.992 337 H GLN 47 H GLN 47 5.239 -0.481 -9.932 338 HA GLN 47 HA GLN 47 6.546 0.097 -7.409 339 HB2 GLN 47 1HB GLN 47 6.552 -2.189 -9.335 340 HB3 GLN 47 2HB GLN 47 8.078 -1.863 -8.539 341 HG2 GLN 47 1HG GLN 47 6.741 -1.811 -6.317 342 HG3 GLN 47 2HG GLN 47 5.400 -2.482 -7.225 343 HE21 GLN 47 1HE2 GLN 47 8.905 -2.953 -6.792 344 HE22 GLN 47 2HE2 GLN 47 8.888 -4.684 -6.730 345 H GLU 48 H GLU 48 8.086 1.671 -7.390 346 HA GLU 48 HA GLU 48 9.628 1.977 -9.848 347 HB2 GLU 48 1HB GLU 48 7.875 3.851 -8.988 348 HB3 GLU 48 2HB GLU 48 9.260 4.339 -8.031 349 HG2 GLU 48 1HG GLU 48 10.549 4.068 -10.372 350 HG3 GLU 48 2HG GLU 48 8.943 4.304 -11.033 351 H ASP 49 H ASP 49 11.727 1.394 -9.524 352 HA ASP 49 HA ASP 49 12.844 0.569 -7.299 353 HB2 ASP 49 1HB ASP 49 13.758 1.188 -9.822 354 HB3 ASP 49 2HB ASP 49 14.643 2.366 -8.873 355 H GLY 50 H GLY 50 12.630 1.616 -5.287 356 HA2 GLY 50 1HA GLY 50 13.996 3.295 -4.031 357 HA3 GLY 50 2HA GLY 50 13.384 4.474 -5.174 358 H TRP 51 H TRP 51 10.681 3.537 -5.468 359 HA TRP 51 HA TRP 51 9.627 3.565 -2.747 360 HB2 TRP 51 1HB TRP 51 9.159 5.685 -4.826 361 HB3 TRP 51 2HB TRP 51 7.941 5.321 -3.620 362 HD1 TRP 51 HD TRP 51 11.683 6.439 -3.698 363 HE1 TRP 51 1HE TRP 51 12.243 7.943 -1.603 364 HE3 TRP 51 3HE TRP 51 7.133 5.961 -1.478 365 HZ2 TRP 51 2HZ TRP 51 10.755 8.746 0.695 366 HZ3 TRP 51 3HZ TRP 51 6.769 7.137 0.689 367 HH2 TRP 51 HH TRP 51 8.490 8.492 1.775 368 H LEU 52 H LEU 52 7.505 2.606 -2.639 369 HA LEU 52 HA LEU 52 6.698 1.318 -5.154 370 HB2 LEU 52 1HB LEU 52 6.203 0.114 -2.454 371 HB3 LEU 52 2HB LEU 52 6.194 -0.653 -4.029 372 HG LEU 52 HG LEU 52 8.120 -1.343 -2.695 373 HD11 LEU 52 1HD1 LEU 52 9.944 -0.545 -4.378 374 HD12 LEU 52 2HD1 LEU 52 8.596 -1.560 -4.944 375 HD13 LEU 52 3HD1 LEU 52 8.570 0.197 -5.233 376 HD21 LEU 52 1HD2 LEU 52 8.199 1.093 -1.627 377 HD22 LEU 52 2HD2 LEU 52 9.628 0.033 -1.690 378 HD23 LEU 52 3HD2 LEU 52 9.427 1.329 -2.894 379 H TYR 53 H TYR 53 4.784 2.039 -5.899 380 HA TYR 53 HA TYR 53 3.073 3.498 -4.058 381 HB2 TYR 53 1HB TYR 53 3.802 4.253 -6.418 382 HB3 TYR 53 2HB TYR 53 2.942 2.874 -7.075 383 HD1 TYR 53 2HD TYR 53 2.257 5.749 -4.748 384 HD2 TYR 53 1HD TYR 53 0.828 3.274 -7.933 385 HE1 TYR 53 2HE TYR 53 0.127 7.130 -4.876 386 HE2 TYR 53 1HE TYR 53 -1.297 4.664 -8.049 387 HH TYR 53 HH TYR 53 -1.886 7.105 -7.438 388 H GLY 54 H GLY 54 0.930 2.941 -3.564 389 HA2 GLY 54 1HA GLY 54 -0.331 0.673 -4.803 390 HA3 GLY 54 2HA GLY 54 0.255 0.332 -3.187 391 H GLU 55 H GLU 55 -2.245 0.032 -2.984 392 HA GLU 55 HA GLU 55 -3.319 2.621 -2.179 393 HB2 GLU 55 1HB GLU 55 -4.487 1.891 -4.204 394 HB3 GLU 55 2HB GLU 55 -4.790 0.309 -3.514 395 HG2 GLU 55 1HG GLU 55 -5.809 2.131 -1.597 396 HG3 GLU 55 2HG GLU 55 -6.280 2.808 -3.143 397 H ARG 56 H ARG 56 -4.026 2.733 -0.069 398 HA ARG 56 HA ARG 56 -3.521 0.511 1.566 399 HB2 ARG 56 1HB ARG 56 -3.421 3.079 2.115 400 HB3 ARG 56 2HB ARG 56 -5.146 2.952 2.393 401 HG2 ARG 56 1HG ARG 56 -4.889 1.551 4.267 402 HG3 ARG 56 2HG ARG 56 -3.336 0.939 3.733 403 HD2 ARG 56 1HD ARG 56 -3.419 2.671 5.722 404 HD3 ARG 56 2HD ARG 56 -2.161 2.824 4.512 405 HE ARG 56 HE ARG 56 -3.234 4.753 3.632 406 HH11 ARG 56 2HH2 ARG 56 -5.203 3.242 6.127 407 HH12 ARG 56 1HH2 ARG 56 -6.272 4.596 6.283 408 HH21 ARG 56 2HH1 ARG 56 -4.644 6.539 3.837 409 HH22 ARG 56 1HH1 ARG 56 -5.951 6.484 4.972 410 H LEU 57 H LEU 57 -4.879 -1.245 1.739 411 HA LEU 57 HA LEU 57 -7.509 -1.216 0.792 412 HB2 LEU 57 1HB LEU 57 -6.006 -3.132 2.573 413 HB3 LEU 57 2HB LEU 57 -7.630 -3.432 1.986 414 HG LEU 57 HG LEU 57 -6.223 -4.627 0.543 415 HD11 LEU 57 1HD1 LEU 57 -7.969 -3.093 -0.529 416 HD12 LEU 57 2HD1 LEU 57 -6.593 -2.082 -1.032 417 HD13 LEU 57 3HD1 LEU 57 -6.705 -3.770 -1.584 418 HD21 LEU 57 1HD2 LEU 57 -4.488 -2.262 -0.109 419 HD22 LEU 57 2HD2 LEU 57 -4.164 -3.252 1.335 420 HD23 LEU 57 3HD2 LEU 57 -4.152 -4.002 -0.279 421 H ARG 58 H ARG 58 -6.124 0.064 3.663 422 HA ARG 58 HA ARG 58 -8.065 -0.465 5.510 423 HB2 ARG 58 1HB ARG 58 -5.827 0.706 5.879 424 HB3 ARG 58 2HB ARG 58 -6.529 2.163 5.205 425 HG2 ARG 58 1HG ARG 58 -7.587 2.661 7.155 426 HG3 ARG 58 2HG ARG 58 -8.288 1.059 7.263 427 HD2 ARG 58 1HD ARG 58 -5.977 0.242 8.087 428 HD3 ARG 58 2HD ARG 58 -5.526 1.930 8.222 429 HE ARG 58 HE ARG 58 -7.390 0.472 9.957 430 HH11 ARG 58 2HH2 ARG 58 -6.364 3.646 8.836 431 HH12 ARG 58 1HH2 ARG 58 -6.987 4.478 10.222 432 HH21 ARG 58 2HH1 ARG 58 -8.211 1.569 11.785 433 HH22 ARG 58 1HH1 ARG 58 -8.044 3.288 11.911 434 H ASP 59 H ASP 59 -7.690 2.632 3.615 435 HA ASP 59 HA ASP 59 -10.591 2.874 3.783 436 HB2 ASP 59 1HB ASP 59 -9.116 4.622 4.974 437 HB3 ASP 59 2HB ASP 59 -8.578 5.132 3.386 438 H GLY 60 H GLY 60 -7.651 2.810 1.821 439 HA2 GLY 60 1HA GLY 60 -7.962 2.101 -0.482 440 HA3 GLY 60 2HA GLY 60 -9.272 3.257 -0.614 441 H GLU 61 H GLU 61 -7.022 4.719 1.398 442 HA GLU 61 HA GLU 61 -6.387 6.690 -0.360 443 HB2 GLU 61 1HB GLU 61 -5.875 6.105 2.330 444 HB3 GLU 61 2HB GLU 61 -4.270 6.218 1.636 445 HG2 GLU 61 1HG GLU 61 -5.666 8.386 0.486 446 HG3 GLU 61 2HG GLU 61 -6.232 8.349 2.144 447 H THR 62 H THR 62 -4.986 6.899 -2.064 448 HA THR 62 HA THR 62 -2.997 4.751 -2.390 449 HB THR 62 HB THR 62 -4.067 6.541 -4.604 450 HG1 THR 62 1HG THR 62 -5.852 5.576 -3.323 451 HG21 THR 62 1HG2 THR 62 -2.193 4.745 -4.914 452 HG22 THR 62 2HG2 THR 62 -3.475 3.548 -4.609 453 HG23 THR 62 3HG2 THR 62 -3.596 4.646 -6.005 454 H GLY 63 H GLY 63 -0.964 5.283 -1.935 455 HA2 GLY 63 1HA GLY 63 -0.005 7.916 -2.792 456 HA3 GLY 63 2HA GLY 63 0.130 7.503 -1.094 457 H TRP 64 H TRP 64 2.525 7.907 -1.905 458 HA TRP 64 HA TRP 64 3.605 5.475 -3.110 459 HB2 TRP 64 1HB TRP 64 4.642 8.270 -2.731 460 HB3 TRP 64 2HB TRP 64 5.740 6.940 -3.043 461 HD1 TRP 64 HD TRP 64 3.132 9.110 -4.806 462 HE1 TRP 64 1HE TRP 64 3.119 8.698 -7.412 463 HE3 TRP 64 3HE TRP 64 6.203 5.059 -4.709 464 HZ2 TRP 64 2HZ TRP 64 4.367 6.767 -9.103 465 HZ3 TRP 64 3HZ TRP 64 6.756 3.969 -6.881 466 HH2 TRP 64 HH TRP 64 5.892 4.760 -9.026 467 H PHE 65 H PHE 65 4.393 3.907 -1.772 468 HA PHE 65 HA PHE 65 5.275 4.776 0.891 469 HB2 PHE 65 1HB PHE 65 4.185 2.809 1.765 470 HB3 PHE 65 2HB PHE 65 3.046 3.404 0.574 471 HD1 PHE 65 1HD PHE 65 5.869 1.003 0.945 472 HD2 PHE 65 2HD PHE 65 2.281 1.982 -1.097 473 HE1 PHE 65 1HE PHE 65 5.927 -1.219 -0.220 474 HE2 PHE 65 2HE PHE 65 2.338 -0.241 -2.263 475 HZ PHE 65 HZ PHE 65 4.160 -1.815 -1.810 476 HA PRO 66 HA PRO 66 8.970 2.816 -0.315 477 HB2 PRO 66 1HB PRO 66 10.348 3.074 2.031 478 HB3 PRO 66 2HB PRO 66 10.242 4.351 0.836 479 HG2 PRO 66 1HG PRO 66 8.849 4.122 3.433 480 HG3 PRO 66 2HG PRO 66 9.092 5.545 2.440 481 HD2 PRO 66 1HD PRO 66 6.674 4.024 2.698 482 HD3 PRO 66 2HD PRO 66 6.952 5.376 1.618 483 H GLU 67 H GLU 67 10.211 0.889 -0.130 484 HA GLU 67 HA GLU 67 8.573 -1.171 0.880 485 HB2 GLU 67 1HB GLU 67 10.676 -2.582 0.257 486 HB3 GLU 67 2HB GLU 67 9.804 -1.776 -1.031 487 HG2 GLU 67 1HG GLU 67 11.559 -0.396 -1.516 488 HG3 GLU 67 2HG GLU 67 11.858 -0.033 0.173 489 H ASP 68 H ASP 68 11.473 0.589 2.006 490 HA ASP 68 HA ASP 68 12.388 -1.098 3.903 491 HB2 ASP 68 1HB ASP 68 12.721 1.615 3.204 492 HB3 ASP 68 2HB ASP 68 12.235 1.676 4.886 493 H PHE 69 H PHE 69 9.361 0.689 3.750 494 HA PHE 69 HA PHE 69 8.851 0.114 6.581 495 HB2 PHE 69 1HB PHE 69 7.635 2.043 4.515 496 HB3 PHE 69 2HB PHE 69 6.976 1.847 6.127 497 HD1 PHE 69 2HD PHE 69 10.124 2.763 4.363 498 HD2 PHE 69 1HD PHE 69 7.768 3.170 7.868 499 HE1 PHE 69 2HE PHE 69 11.705 4.513 5.222 500 HE2 PHE 69 1HE PHE 69 9.349 4.920 8.727 501 HZ PHE 69 HZ PHE 69 11.299 5.571 7.394 502 H ALA 70 H ALA 70 8.719 -1.866 4.338 503 HA ALA 70 HA ALA 70 6.112 -2.863 4.948 504 HB1 ALA 70 1HB ALA 70 5.026 -2.550 2.956 505 HB2 ALA 70 2HB ALA 70 6.081 -1.118 2.879 506 HB3 ALA 70 3HB ALA 70 6.530 -2.602 2.005 507 H ARG 71 H ARG 71 5.817 -5.074 3.852 508 HA ARG 71 HA ARG 71 8.420 -6.186 3.206 509 HB2 ARG 71 1HB ARG 71 6.468 -7.070 5.339 510 HB3 ARG 71 2HB ARG 71 7.384 -8.308 4.504 511 HG2 ARG 71 1HG ARG 71 9.486 -6.847 5.037 512 HG3 ARG 71 2HG ARG 71 8.453 -5.997 6.168 513 HD2 ARG 71 1HD ARG 71 7.903 -8.642 6.809 514 HD3 ARG 71 2HD ARG 71 9.590 -8.742 6.345 515 HE ARG 71 HE ARG 71 8.550 -7.510 8.743 516 HH11 ARG 71 2HH2 ARG 71 11.102 -7.182 6.343 517 HH12 ARG 71 1HH2 ARG 71 12.186 -6.366 7.420 518 HH21 ARG 71 2HH1 ARG 71 9.979 -6.433 10.164 519 HH22 ARG 71 1HH1 ARG 71 11.542 -5.937 9.608 520 H PHE 72 H PHE 72 8.194 -6.883 1.098 521 HA PHE 72 HA PHE 72 5.818 -7.273 -0.203 522 HB2 PHE 72 1HB PHE 72 8.717 -8.053 -0.464 523 HB3 PHE 72 2HB PHE 72 7.619 -9.000 -1.449 524 HD1 PHE 72 1HD PHE 72 6.283 -7.908 -3.216 525 HD2 PHE 72 2HD PHE 72 9.176 -5.754 -0.980 526 HE1 PHE 72 1HE PHE 72 6.265 -6.089 -4.945 527 HE2 PHE 72 2HE PHE 72 9.158 -3.935 -2.709 528 HZ PHE 72 HZ PHE 72 7.703 -4.124 -4.671 529 H ILE 73 H ILE 73 4.284 -8.857 -0.271 530 HA ILE 73 HA ILE 73 4.965 -11.367 1.093 531 HB ILE 73 HB ILE 73 2.269 -10.054 0.733 532 HG12 ILE 73 1HG1 ILE 73 4.169 -10.129 3.087 533 HG13 ILE 73 2HG1 ILE 73 3.549 -8.719 2.250 534 HG21 ILE 73 1HG2 ILE 73 2.663 -12.199 2.731 535 HG22 ILE 73 2HG2 ILE 73 1.287 -11.859 1.655 536 HG23 ILE 73 3HG2 ILE 73 2.719 -12.707 1.026 537 HD11 ILE 73 1HD1 ILE 73 2.280 -8.965 4.300 538 HD12 ILE 73 2HD1 ILE 73 1.204 -9.417 2.956 539 HD13 ILE 73 3HD1 ILE 73 1.957 -10.682 3.956 540 H SER 74 H SER 74 5.656 -12.750 -0.486 541 HA SER 74 HA SER 74 5.421 -14.184 -2.115 542 HB2 SER 74 1HB SER 74 2.779 -13.710 -1.548 543 HB3 SER 74 2HB SER 74 2.835 -13.182 -3.218 544 HG SER 74 HG SER 74 3.575 -15.238 -3.866 545 H GLY 75 H GLY 75 7.104 -12.277 -2.675 546 HA2 GLY 75 1HA GLY 75 6.868 -11.820 -5.476 547 HA3 GLY 75 2HA GLY 75 6.582 -10.346 -4.573 548 HA PRO 76 HA PRO 76 11.131 -11.324 -4.862 549 HB2 PRO 76 1HB PRO 76 11.896 -9.967 -7.107 550 HB3 PRO 76 2HB PRO 76 11.585 -11.691 -7.089 551 HG2 PRO 76 1HG PRO 76 9.906 -9.517 -8.180 552 HG3 PRO 76 2HG PRO 76 9.833 -11.235 -8.518 553 HD2 PRO 76 1HD PRO 76 8.059 -9.741 -6.830 554 HD3 PRO 76 2HD PRO 76 8.058 -11.476 -7.076 555 H SER 77 H SER 77 13.035 -9.820 -4.650 556 HA SER 77 HA SER 77 12.047 -7.628 -3.136 557 HB2 SER 77 1HB SER 77 14.564 -9.091 -3.454 558 HB3 SER 77 2HB SER 77 14.850 -7.363 -3.418 559 HG SER 77 HG SER 77 13.485 -8.963 -1.432 560 H SER 78 H SER 78 13.127 -5.364 -3.462 561 HA SER 78 HA SER 78 13.262 -4.863 -6.333 562 HB2 SER 78 1HB SER 78 12.325 -2.568 -5.768 563 HB3 SER 78 2HB SER 78 11.208 -3.900 -5.545 564 HG SER 78 HG SER 78 11.624 -2.122 -3.758 565 H GLY 79 H GLY 79 15.357 -4.372 -6.874 566 HA2 GLY 79 1HA GLY 79 16.856 -2.619 -5.026 567 HA3 GLY 79 2HA GLY 79 17.579 -4.046 -5.740 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -18.947 -2.620 8.582 2 HA2 GLY 1 1HA GLY 1 -20.381 -4.831 7.607 3 HA3 GLY 1 2HA GLY 1 -21.355 -3.393 7.376 4 H SER 2 H SER 2 -21.115 -2.468 5.395 5 HA SER 2 HA SER 2 -18.653 -1.665 4.444 6 HB2 SER 2 1HB SER 2 -18.664 -4.293 4.062 7 HB3 SER 2 2HB SER 2 -19.694 -3.905 2.699 8 HG SER 2 HG SER 2 -17.221 -3.981 2.415 9 H SER 3 H SER 3 -19.296 0.188 3.413 10 HA SER 3 HA SER 3 -21.519 -0.046 1.574 11 HB2 SER 3 1HB SER 3 -22.405 2.184 2.444 12 HB3 SER 3 2HB SER 3 -22.652 0.808 3.501 13 HG SER 3 HG SER 3 -20.260 1.805 4.181 14 H GLY 4 H GLY 4 -21.415 1.494 -0.185 15 HA2 GLY 4 1HA GLY 4 -20.471 3.035 -1.546 16 HA3 GLY 4 2HA GLY 4 -19.455 3.575 -0.224 17 H SER 5 H SER 5 -19.859 0.909 -2.636 18 HA SER 5 HA SER 5 -17.151 1.036 -3.312 19 HB2 SER 5 1HB SER 5 -16.566 -1.337 -2.588 20 HB3 SER 5 2HB SER 5 -16.654 -0.158 -1.294 21 HG SER 5 HG SER 5 -18.734 -0.942 -0.713 22 H SER 6 H SER 6 -16.627 -0.633 -5.045 23 HA SER 6 HA SER 6 -18.817 -2.184 -5.987 24 HB2 SER 6 1HB SER 6 -18.217 0.474 -7.159 25 HB3 SER 6 2HB SER 6 -18.275 -0.817 -8.342 26 HG SER 6 HG SER 6 -20.346 0.414 -7.030 27 H GLY 7 H GLY 7 -15.757 -0.543 -7.100 28 HA2 GLY 7 1HA GLY 7 -13.862 -1.366 -7.979 29 HA3 GLY 7 2HA GLY 7 -14.185 -2.847 -7.100 30 H TRP 8 H TRP 8 -13.208 -3.951 -9.005 31 HA TRP 8 HA TRP 8 -15.294 -4.588 -10.920 32 HB2 TRP 8 1HB TRP 8 -12.974 -2.950 -11.571 33 HB3 TRP 8 2HB TRP 8 -13.039 -4.414 -12.533 34 HD1 TRP 8 HD TRP 8 -15.210 -1.279 -11.796 35 HE1 TRP 8 1HE TRP 8 -16.889 -0.813 -13.777 36 HE3 TRP 8 3HE TRP 8 -14.130 -5.509 -14.402 37 HZ2 TRP 8 2HZ TRP 8 -17.563 -2.235 -16.158 38 HZ3 TRP 8 3HZ TRP 8 -15.343 -5.895 -16.545 39 HH2 TRP 8 HH TRP 8 -17.009 -4.340 -17.431 40 H GLN 9 H GLN 9 -15.450 -6.759 -10.515 41 HA GLN 9 HA GLN 9 -13.659 -8.293 -9.246 42 HB2 GLN 9 1HB GLN 9 -15.989 -8.954 -9.840 43 HB3 GLN 9 2HB GLN 9 -15.504 -9.180 -11.509 44 HG2 GLN 9 1HG GLN 9 -13.688 -10.816 -10.519 45 HG3 GLN 9 2HG GLN 9 -14.682 -10.799 -9.075 46 HE21 GLN 9 1HE2 GLN 9 -14.242 -12.019 -12.212 47 HE22 GLN 9 2HE2 GLN 9 -15.693 -12.952 -12.368 48 H GLY 10 H GLY 10 -14.099 -8.477 -12.858 49 HA2 GLY 10 1HA GLY 10 -11.698 -9.854 -13.319 50 HA3 GLY 10 2HA GLY 10 -12.651 -8.979 -14.501 51 H LEU 11 H LEU 11 -11.068 -7.852 -15.627 52 HA LEU 11 HA LEU 11 -9.682 -6.178 -16.043 53 HB2 LEU 11 1HB LEU 11 -11.021 -5.329 -13.680 54 HB3 LEU 11 2HB LEU 11 -9.331 -4.896 -13.517 55 HG LEU 11 HG LEU 11 -10.324 -4.214 -16.163 56 HD11 LEU 11 1HD1 LEU 11 -12.451 -4.084 -14.731 57 HD12 LEU 11 2HD1 LEU 11 -11.678 -2.687 -13.944 58 HD13 LEU 11 3HD1 LEU 11 -12.003 -2.655 -15.693 59 HD21 LEU 11 1HD2 LEU 11 -9.496 -2.160 -14.169 60 HD22 LEU 11 2HD2 LEU 11 -8.302 -3.394 -14.639 61 HD23 LEU 11 3HD2 LEU 11 -9.044 -2.356 -15.880 62 H SER 12 H SER 12 -7.607 -6.677 -16.470 63 HA SER 12 HA SER 12 -6.214 -8.515 -14.985 64 HB2 SER 12 1HB SER 12 -4.235 -7.780 -16.338 65 HB3 SER 12 2HB SER 12 -5.663 -8.073 -17.311 66 HG SER 12 HG SER 12 -4.282 -5.673 -16.818 67 H SER 13 H SER 13 -6.804 -5.147 -14.400 68 HA SER 13 HA SER 13 -4.446 -4.913 -12.743 69 HB2 SER 13 1HB SER 13 -6.565 -2.928 -13.654 70 HB3 SER 13 2HB SER 13 -5.369 -2.516 -12.442 71 HG SER 13 HG SER 13 -4.983 -2.141 -14.930 72 H LYS 14 H LYS 14 -4.886 -3.740 -10.512 73 HA LYS 14 HA LYS 14 -5.581 -4.359 -8.448 74 HB2 LYS 14 1HB LYS 14 -7.894 -3.374 -8.055 75 HB3 LYS 14 2HB LYS 14 -6.681 -2.304 -8.729 76 HG2 LYS 14 1HG LYS 14 -8.390 -3.851 -10.668 77 HG3 LYS 14 2HG LYS 14 -9.152 -2.533 -9.799 78 HD2 LYS 14 1HD LYS 14 -6.476 -1.852 -10.903 79 HD3 LYS 14 2HD LYS 14 -7.662 -2.259 -12.127 80 HE2 LYS 14 1HE LYS 14 -9.246 -0.584 -11.162 81 HE3 LYS 14 2HE LYS 14 -8.077 -0.185 -9.919 82 HZ1 LYS 14 1HZ LYS 14 -6.607 0.633 -11.546 83 HZ2 LYS 14 2HZ LYS 14 -7.495 0.050 -12.786 84 HZ3 LYS 14 3HZ LYS 14 -8.065 1.286 -11.884 85 H GLY 15 H GLY 15 -5.364 -6.650 -8.440 86 HA2 GLY 15 1HA GLY 15 -7.747 -8.055 -7.891 87 HA3 GLY 15 2HA GLY 15 -7.217 -8.439 -9.517 88 H ASP 16 H ASP 16 -4.786 -9.026 -9.752 89 HA ASP 16 HA ASP 16 -4.126 -10.699 -7.463 90 HB2 ASP 16 1HB ASP 16 -3.775 -10.958 -10.441 91 HB3 ASP 16 2HB ASP 16 -2.534 -11.674 -9.433 92 H LEU 17 H LEU 17 -3.510 -7.786 -7.743 93 HA LEU 17 HA LEU 17 -0.801 -7.544 -8.590 94 HB2 LEU 17 1HB LEU 17 -2.890 -5.796 -7.405 95 HB3 LEU 17 2HB LEU 17 -1.221 -5.314 -7.172 96 HG LEU 17 HG LEU 17 -2.446 -5.893 -9.882 97 HD11 LEU 17 1HD1 LEU 17 -2.885 -3.628 -10.202 98 HD12 LEU 17 2HD1 LEU 17 -3.436 -3.927 -8.536 99 HD13 LEU 17 3HD1 LEU 17 -1.870 -3.132 -8.826 100 HD21 LEU 17 1HD2 LEU 17 -0.477 -4.737 -10.764 101 HD22 LEU 17 2HD2 LEU 17 0.155 -4.540 -9.112 102 HD23 LEU 17 3HD2 LEU 17 -0.021 -6.168 -9.809 103 HA PRO 18 HA PRO 18 1.227 -8.477 -4.898 104 HB2 PRO 18 1HB PRO 18 3.300 -6.698 -4.805 105 HB3 PRO 18 2HB PRO 18 3.309 -8.128 -5.818 106 HG2 PRO 18 1HG PRO 18 2.906 -5.305 -6.599 107 HG3 PRO 18 2HG PRO 18 3.338 -6.672 -7.607 108 HD2 PRO 18 1HD PRO 18 0.759 -5.432 -7.411 109 HD3 PRO 18 2HD PRO 18 1.164 -6.869 -8.329 110 H GLN 19 H GLN 19 1.899 -7.900 -2.675 111 HA GLN 19 HA GLN 19 0.790 -5.368 -1.874 112 HB2 GLN 19 1HB GLN 19 -0.431 -8.025 -1.223 113 HB3 GLN 19 2HB GLN 19 -0.329 -6.874 0.095 114 HG2 GLN 19 1HG GLN 19 -1.622 -5.225 -1.106 115 HG3 GLN 19 2HG GLN 19 -1.456 -6.086 -2.623 116 HE21 GLN 19 1HE2 GLN 19 -2.859 -7.627 -3.174 117 HE22 GLN 19 2HE2 GLN 19 -4.180 -8.188 -2.205 118 H VAL 20 H VAL 20 1.551 -4.680 0.259 119 HA VAL 20 HA VAL 20 3.605 -6.416 1.409 120 HB VAL 20 HB VAL 20 5.184 -4.630 1.516 121 HG11 VAL 20 1HG1 VAL 20 5.877 -4.603 -0.696 122 HG12 VAL 20 2HG1 VAL 20 4.756 -5.985 -0.687 123 HG13 VAL 20 3HG1 VAL 20 4.224 -4.411 -1.326 124 HG21 VAL 20 1HG2 VAL 20 4.822 -2.400 0.806 125 HG22 VAL 20 2HG2 VAL 20 3.289 -2.818 0.002 126 HG23 VAL 20 3HG2 VAL 20 3.394 -2.827 1.779 127 H GLU 21 H GLU 21 3.670 -6.376 3.647 128 HA GLU 21 HA GLU 21 1.525 -4.859 4.844 129 HB2 GLU 21 1HB GLU 21 1.703 -7.287 5.322 130 HB3 GLU 21 2HB GLU 21 3.309 -7.056 5.983 131 HG2 GLU 21 1HG GLU 21 2.417 -5.622 7.781 132 HG3 GLU 21 2HG GLU 21 0.813 -5.679 7.079 133 H ILE 22 H ILE 22 1.914 -2.921 5.817 134 HA ILE 22 HA ILE 22 4.537 -1.940 6.085 135 HB ILE 22 HB ILE 22 1.950 -0.920 7.265 136 HG12 ILE 22 1HG1 ILE 22 1.706 -1.186 4.877 137 HG13 ILE 22 2HG1 ILE 22 1.845 0.517 5.267 138 HG21 ILE 22 1HG2 ILE 22 3.769 1.161 6.601 139 HG22 ILE 22 2HG2 ILE 22 3.148 0.691 8.201 140 HG23 ILE 22 3HG2 ILE 22 4.648 -0.038 7.580 141 HD11 ILE 22 1HD1 ILE 22 4.113 -1.261 4.255 142 HD12 ILE 22 2HD1 ILE 22 3.238 -0.037 3.304 143 HD13 ILE 22 3HD1 ILE 22 4.268 0.464 4.666 144 H THR 23 H THR 23 5.996 -2.770 7.487 145 HA THR 23 HA THR 23 5.238 -4.157 9.826 146 HB THR 23 HB THR 23 7.652 -4.318 10.141 147 HG1 THR 23 1HG THR 23 7.751 -2.207 8.112 148 HG21 THR 23 1HG2 THR 23 6.480 -4.744 7.533 149 HG22 THR 23 2HG2 THR 23 8.098 -4.039 7.301 150 HG23 THR 23 3HG2 THR 23 7.909 -5.544 8.232 151 H LYS 24 H LYS 24 6.073 -0.753 9.152 152 HA LYS 24 HA LYS 24 5.118 -0.132 11.826 153 HB2 LYS 24 1HB LYS 24 7.025 1.301 12.326 154 HB3 LYS 24 2HB LYS 24 7.531 -0.364 12.119 155 HG2 LYS 24 1HG LYS 24 7.810 0.505 9.544 156 HG3 LYS 24 2HG LYS 24 8.077 2.020 10.384 157 HD2 LYS 24 1HD LYS 24 9.857 0.970 11.765 158 HD3 LYS 24 2HD LYS 24 9.563 -0.578 10.999 159 HE2 LYS 24 1HE LYS 24 10.813 -0.027 9.175 160 HE3 LYS 24 2HE LYS 24 10.003 1.515 8.988 161 HZ1 LYS 24 1HZ LYS 24 12.524 1.122 9.910 162 HZ2 LYS 24 2HZ LYS 24 11.683 2.521 9.972 163 HZ3 LYS 24 3HZ LYS 24 11.681 1.510 11.255 164 H ALA 25 H ALA 25 4.256 2.014 12.001 165 HA ALA 25 HA ALA 25 2.864 2.911 9.850 166 HB1 ALA 25 1HB ALA 25 3.493 5.184 11.439 167 HB2 ALA 25 2HB ALA 25 2.056 4.138 11.548 168 HB3 ALA 25 3HB ALA 25 3.495 3.779 12.533 169 H PHE 26 H PHE 26 3.094 4.895 8.510 170 HA PHE 26 HA PHE 26 5.864 5.715 8.128 171 HB2 PHE 26 1HB PHE 26 5.681 4.045 6.423 172 HB3 PHE 26 2HB PHE 26 3.955 4.292 6.240 173 HD1 PHE 26 2HD PHE 26 7.022 6.406 5.866 174 HD2 PHE 26 1HD PHE 26 3.344 5.115 4.188 175 HE1 PHE 26 2HE PHE 26 7.440 7.838 3.847 176 HE2 PHE 26 1HE PHE 26 3.762 6.547 2.170 177 HZ PHE 26 HZ PHE 26 5.805 7.892 2.023 178 H PHE 27 H PHE 27 5.187 7.735 9.099 179 HA PHE 27 HA PHE 27 2.962 9.169 8.256 180 HB2 PHE 27 1HB PHE 27 5.729 9.980 9.332 181 HB3 PHE 27 2HB PHE 27 4.379 11.094 9.249 182 HD1 PHE 27 1HD PHE 27 2.400 10.749 10.699 183 HD2 PHE 27 2HD PHE 27 5.867 8.329 11.060 184 HE1 PHE 27 1HE PHE 27 1.633 9.988 12.965 185 HE2 PHE 27 2HE PHE 27 5.100 7.568 13.326 186 HZ PHE 27 HZ PHE 27 2.992 8.407 14.251 187 H ALA 28 H ALA 28 2.527 9.857 6.213 188 HA ALA 28 HA ALA 28 4.543 10.152 4.266 189 HB1 ALA 28 1HB ALA 28 2.519 11.338 3.078 190 HB2 ALA 28 2HB ALA 28 2.434 9.595 3.430 191 HB3 ALA 28 3HB ALA 28 1.595 10.759 4.485 192 H LYS 29 H LYS 29 5.742 11.910 3.632 193 HA LYS 29 HA LYS 29 5.231 14.379 5.136 194 HB2 LYS 29 1HB LYS 29 7.565 14.834 5.055 195 HB3 LYS 29 2HB LYS 29 7.380 13.180 5.603 196 HG2 LYS 29 1HG LYS 29 7.552 13.380 2.659 197 HG3 LYS 29 2HG LYS 29 8.968 14.034 3.458 198 HD2 LYS 29 1HD LYS 29 8.042 11.467 4.624 199 HD3 LYS 29 2HD LYS 29 8.511 11.335 2.941 200 HE2 LYS 29 1HE LYS 29 10.656 11.188 3.695 201 HE3 LYS 29 2HE LYS 29 10.556 12.912 3.992 202 HZ1 LYS 29 1HZ LYS 29 10.576 12.540 6.151 203 HZ2 LYS 29 2HZ LYS 29 9.357 11.456 6.084 204 HZ3 LYS 29 3HZ LYS 29 10.899 10.966 5.858 205 H GLN 30 H GLN 30 5.604 12.844 1.966 206 HA GLN 30 HA GLN 30 5.624 15.417 0.677 207 HB2 GLN 30 1HB GLN 30 6.153 12.595 -0.111 208 HB3 GLN 30 2HB GLN 30 5.388 13.568 -1.353 209 HG2 GLN 30 1HG GLN 30 7.364 15.278 -0.322 210 HG3 GLN 30 2HG GLN 30 8.140 13.707 -0.297 211 HE21 GLN 30 1HE2 GLN 30 5.998 15.646 -2.383 212 HE22 GLN 30 2HE2 GLN 30 6.778 15.293 -3.888 213 H ALA 31 H ALA 31 4.070 15.328 -1.490 214 HA ALA 31 HA ALA 31 1.405 15.117 -0.350 215 HB1 ALA 31 1HB ALA 31 2.417 16.298 -2.969 216 HB2 ALA 31 2HB ALA 31 0.763 16.442 -2.329 217 HB3 ALA 31 3HB ALA 31 2.121 17.204 -1.466 218 H ASP 32 H ASP 32 3.574 13.117 -1.962 219 HA ASP 32 HA ASP 32 1.440 11.845 -3.471 220 HB2 ASP 32 1HB ASP 32 4.198 12.365 -4.018 221 HB3 ASP 32 2HB ASP 32 4.068 10.630 -3.816 222 H GLU 33 H GLU 33 3.336 11.723 -0.581 223 HA GLU 33 HA GLU 33 3.366 8.879 -0.367 224 HB2 GLU 33 1HB GLU 33 4.098 11.132 1.544 225 HB3 GLU 33 2HB GLU 33 4.186 9.445 2.009 226 HG2 GLU 33 1HG GLU 33 5.853 8.959 0.333 227 HG3 GLU 33 2HG GLU 33 5.572 10.476 -0.499 228 H VAL 34 H VAL 34 2.355 7.765 1.594 229 HA VAL 34 HA VAL 34 -0.107 9.102 2.438 230 HB VAL 34 HB VAL 34 -0.842 7.789 0.627 231 HG11 VAL 34 1HG1 VAL 34 1.202 6.425 0.351 232 HG12 VAL 34 2HG1 VAL 34 0.724 5.444 1.758 233 HG13 VAL 34 3HG1 VAL 34 -0.278 5.439 0.287 234 HG21 VAL 34 1HG2 VAL 34 -2.561 6.872 1.731 235 HG22 VAL 34 2HG2 VAL 34 -1.512 5.681 2.537 236 HG23 VAL 34 3HG2 VAL 34 -1.703 7.311 3.227 237 H THR 35 H THR 35 -0.713 8.658 4.566 238 HA THR 35 HA THR 35 1.359 7.567 6.211 239 HB THR 35 HB THR 35 -1.488 8.476 6.885 240 HG1 THR 35 1HG THR 35 -0.413 10.536 7.033 241 HG21 THR 35 1HG2 THR 35 0.821 9.037 8.683 242 HG22 THR 35 2HG2 THR 35 -0.827 8.503 9.095 243 HG23 THR 35 3HG2 THR 35 0.389 7.313 8.570 244 H LEU 36 H LEU 36 1.549 5.610 7.177 245 HA LEU 36 HA LEU 36 -0.712 3.778 6.822 246 HB2 LEU 36 1HB LEU 36 2.136 2.884 6.500 247 HB3 LEU 36 2HB LEU 36 0.662 2.043 6.066 248 HG LEU 36 HG LEU 36 1.481 4.603 4.692 249 HD11 LEU 36 1HD1 LEU 36 2.694 3.432 3.046 250 HD12 LEU 36 2HD1 LEU 36 3.302 2.829 4.607 251 HD13 LEU 36 3HD1 LEU 36 2.160 1.848 3.658 252 HD21 LEU 36 1HD2 LEU 36 0.145 3.433 2.820 253 HD22 LEU 36 2HD2 LEU 36 -0.476 2.388 4.120 254 HD23 LEU 36 3HD2 LEU 36 -0.745 4.147 4.186 255 H GLN 37 H GLN 37 -0.608 1.897 8.369 256 HA GLN 37 HA GLN 37 0.650 2.823 10.834 257 HB2 GLN 37 1HB GLN 37 -1.951 1.321 10.356 258 HB3 GLN 37 2HB GLN 37 -1.197 1.384 11.937 259 HG2 GLN 37 1HG GLN 37 -1.972 3.838 10.289 260 HG3 GLN 37 2HG GLN 37 -2.934 3.176 11.596 261 HE21 GLN 37 1HE2 GLN 37 -0.736 5.465 10.796 262 HE22 GLN 37 2HE2 GLN 37 -0.020 5.809 12.335 263 H GLN 38 H GLN 38 0.795 0.743 12.456 264 HA GLN 38 HA GLN 38 2.656 -0.937 11.164 265 HB2 GLN 38 1HB GLN 38 3.005 -0.262 13.481 266 HB3 GLN 38 2HB GLN 38 1.470 -0.952 13.971 267 HG2 GLN 38 1HG GLN 38 3.003 -3.001 12.609 268 HG3 GLN 38 2HG GLN 38 4.027 -2.255 13.819 269 HE21 GLN 38 1HE2 GLN 38 4.037 -4.061 15.112 270 HE22 GLN 38 2HE2 GLN 38 2.683 -4.568 16.065 271 H ALA 39 H ALA 39 2.354 -2.930 10.232 272 HA ALA 39 HA ALA 39 1.402 -4.849 9.657 273 HB1 ALA 39 1HB ALA 39 0.385 -4.371 12.329 274 HB2 ALA 39 2HB ALA 39 -0.861 -5.161 11.332 275 HB3 ALA 39 3HB ALA 39 0.740 -5.916 11.520 276 H ASP 40 H ASP 40 0.835 -2.561 8.210 277 HA ASP 40 HA ASP 40 -2.029 -2.798 7.739 278 HB2 ASP 40 1HB ASP 40 -0.017 -0.581 7.197 279 HB3 ASP 40 2HB ASP 40 -1.570 -0.605 6.385 280 H VAL 41 H VAL 41 -2.698 -3.508 5.662 281 HA VAL 41 HA VAL 41 -0.553 -4.352 3.884 282 HB VAL 41 HB VAL 41 -3.517 -4.956 3.915 283 HG11 VAL 41 1HG1 VAL 41 -2.964 -5.354 1.711 284 HG12 VAL 41 2HG1 VAL 41 -1.277 -5.774 2.093 285 HG13 VAL 41 3HG1 VAL 41 -2.583 -6.933 2.440 286 HG21 VAL 41 1HG2 VAL 41 -2.964 -7.076 4.880 287 HG22 VAL 41 2HG2 VAL 41 -1.219 -6.770 4.706 288 HG23 VAL 41 3HG2 VAL 41 -2.178 -5.822 5.869 289 H VAL 42 H VAL 42 -0.296 -3.588 1.780 290 HA VAL 42 HA VAL 42 -2.203 -1.549 0.909 291 HB VAL 42 HB VAL 42 0.788 -1.268 1.175 292 HG11 VAL 42 1HG1 VAL 42 0.849 -0.034 -0.682 293 HG12 VAL 42 2HG1 VAL 42 -0.901 -0.247 -0.925 294 HG13 VAL 42 3HG1 VAL 42 -0.299 1.101 0.069 295 HG21 VAL 42 1HG2 VAL 42 -1.044 -0.636 2.998 296 HG22 VAL 42 2HG2 VAL 42 0.384 0.386 2.710 297 HG23 VAL 42 3HG2 VAL 42 -1.185 0.826 1.993 298 H LEU 43 H LEU 43 -2.746 -1.734 -1.232 299 HA LEU 43 HA LEU 43 -1.533 -3.948 -2.646 300 HB2 LEU 43 1HB LEU 43 -3.992 -3.638 -2.462 301 HB3 LEU 43 2HB LEU 43 -3.852 -2.170 -3.409 302 HG LEU 43 HG LEU 43 -2.657 -3.828 -5.129 303 HD11 LEU 43 1HD1 LEU 43 -4.135 -5.600 -3.248 304 HD12 LEU 43 2HD1 LEU 43 -4.269 -5.949 -4.989 305 HD13 LEU 43 3HD1 LEU 43 -2.669 -5.905 -4.211 306 HD21 LEU 43 1HD2 LEU 43 -5.246 -2.666 -4.831 307 HD22 LEU 43 2HD2 LEU 43 -4.373 -3.094 -6.322 308 HD23 LEU 43 3HD2 LEU 43 -5.434 -4.289 -5.538 309 H VAL 44 H VAL 44 0.328 -3.584 -3.730 310 HA VAL 44 HA VAL 44 1.226 -1.038 -4.423 311 HB VAL 44 HB VAL 44 1.968 -3.793 -5.424 312 HG11 VAL 44 1HG1 VAL 44 4.069 -1.783 -5.579 313 HG12 VAL 44 2HG1 VAL 44 3.481 -2.917 -6.818 314 HG13 VAL 44 3HG1 VAL 44 2.669 -1.350 -6.589 315 HG21 VAL 44 1HG2 VAL 44 2.508 -3.829 -3.180 316 HG22 VAL 44 2HG2 VAL 44 4.010 -3.175 -3.877 317 HG23 VAL 44 3HG2 VAL 44 2.832 -2.080 -3.114 318 H LEU 45 H LEU 45 1.136 0.181 -6.315 319 HA LEU 45 HA LEU 45 -0.620 -0.920 -8.398 320 HB2 LEU 45 1HB LEU 45 -0.533 1.838 -7.191 321 HB3 LEU 45 2HB LEU 45 -1.248 1.526 -8.760 322 HG LEU 45 HG LEU 45 -2.155 -0.064 -6.377 323 HD11 LEU 45 1HD1 LEU 45 -2.772 1.790 -5.301 324 HD12 LEU 45 2HD1 LEU 45 -2.445 2.825 -6.712 325 HD13 LEU 45 3HD1 LEU 45 -4.005 1.979 -6.571 326 HD21 LEU 45 1HD2 LEU 45 -3.896 0.939 -8.603 327 HD22 LEU 45 2HD2 LEU 45 -2.796 -0.431 -8.890 328 HD23 LEU 45 3HD2 LEU 45 -4.035 -0.537 -7.617 329 H GLN 46 H GLN 46 2.168 1.181 -7.534 330 HA GLN 46 HA GLN 46 3.204 0.606 -10.177 331 HB2 GLN 46 1HB GLN 46 2.361 3.246 -9.211 332 HB3 GLN 46 2HB GLN 46 4.053 3.244 -9.667 333 HG2 GLN 46 1HG GLN 46 3.598 2.892 -11.902 334 HG3 GLN 46 2HG GLN 46 2.253 1.818 -11.572 335 HE21 GLN 46 1HE2 GLN 46 0.204 2.609 -11.271 336 HE22 GLN 46 2HE2 GLN 46 -0.268 4.233 -11.646 337 H GLN 47 H GLN 47 5.165 -0.354 -9.894 338 HA GLN 47 HA GLN 47 6.517 0.141 -7.391 339 HB2 GLN 47 1HB GLN 47 6.549 -2.023 -9.464 340 HB3 GLN 47 2HB GLN 47 8.048 -1.753 -8.596 341 HG2 GLN 47 1HG GLN 47 6.724 -1.899 -6.418 342 HG3 GLN 47 2HG GLN 47 5.321 -2.358 -7.363 343 HE21 GLN 47 1HE2 GLN 47 8.756 -3.174 -6.928 344 HE22 GLN 47 2HE2 GLN 47 8.599 -4.892 -7.083 345 H GLU 48 H GLU 48 8.030 1.739 -7.299 346 HA GLU 48 HA GLU 48 9.571 2.178 -9.738 347 HB2 GLU 48 1HB GLU 48 7.906 4.021 -9.132 348 HB3 GLU 48 2HB GLU 48 8.857 4.318 -7.690 349 HG2 GLU 48 1HG GLU 48 10.837 4.324 -9.610 350 HG3 GLU 48 2HG GLU 48 9.487 4.942 -10.540 351 H ASP 49 H ASP 49 11.673 1.580 -9.462 352 HA ASP 49 HA ASP 49 12.804 0.626 -7.296 353 HB2 ASP 49 1HB ASP 49 13.842 2.148 -9.650 354 HB3 ASP 49 2HB ASP 49 14.961 2.013 -8.308 355 H GLY 50 H GLY 50 12.582 1.557 -5.227 356 HA2 GLY 50 1HA GLY 50 13.911 3.122 -3.835 357 HA3 GLY 50 2HA GLY 50 13.412 4.385 -4.943 358 H TRP 51 H TRP 51 10.699 3.727 -5.415 359 HA TRP 51 HA TRP 51 9.531 3.706 -2.726 360 HB2 TRP 51 1HB TRP 51 9.071 5.763 -4.885 361 HB3 TRP 51 2HB TRP 51 7.948 5.498 -3.567 362 HD1 TRP 51 HD TRP 51 11.629 6.644 -4.092 363 HE1 TRP 51 1HE TRP 51 12.420 8.186 -2.103 364 HE3 TRP 51 3HE TRP 51 7.427 6.076 -1.286 365 HZ2 TRP 51 2HZ TRP 51 11.227 8.978 0.365 366 HZ3 TRP 51 3HZ TRP 51 7.320 7.268 0.900 367 HH2 TRP 51 HH TRP 51 9.132 8.680 1.737 368 H LEU 52 H LEU 52 7.541 2.596 -2.634 369 HA LEU 52 HA LEU 52 6.714 1.396 -5.185 370 HB2 LEU 52 1HB LEU 52 6.270 0.152 -2.487 371 HB3 LEU 52 2HB LEU 52 6.182 -0.594 -4.071 372 HG LEU 52 HG LEU 52 8.155 -1.327 -2.836 373 HD11 LEU 52 1HD1 LEU 52 9.915 -0.504 -4.583 374 HD12 LEU 52 2HD1 LEU 52 8.546 -1.517 -5.099 375 HD13 LEU 52 3HD1 LEU 52 8.503 0.242 -5.368 376 HD21 LEU 52 1HD2 LEU 52 9.756 0.022 -1.912 377 HD22 LEU 52 2HD2 LEU 52 9.442 1.364 -3.038 378 HD23 LEU 52 3HD2 LEU 52 8.318 1.048 -1.695 379 H TYR 53 H TYR 53 4.839 2.218 -5.926 380 HA TYR 53 HA TYR 53 3.103 3.600 -4.066 381 HB2 TYR 53 1HB TYR 53 3.840 4.351 -6.438 382 HB3 TYR 53 2HB TYR 53 2.932 2.998 -7.083 383 HD1 TYR 53 2HD TYR 53 2.435 5.972 -4.847 384 HD2 TYR 53 1HD TYR 53 0.746 3.362 -7.786 385 HE1 TYR 53 2HE TYR 53 0.338 7.408 -4.928 386 HE2 TYR 53 1HE TYR 53 -1.345 4.807 -7.857 387 HH TYR 53 HH TYR 53 -2.002 7.043 -7.382 388 H GLY 54 H GLY 54 0.965 3.030 -3.569 389 HA2 GLY 54 1HA GLY 54 -0.289 0.766 -4.825 390 HA3 GLY 54 2HA GLY 54 0.299 0.417 -3.211 391 H GLU 55 H GLU 55 -2.173 0.101 -2.950 392 HA GLU 55 HA GLU 55 -3.251 2.673 -2.107 393 HB2 GLU 55 1HB GLU 55 -4.403 2.035 -4.175 394 HB3 GLU 55 2HB GLU 55 -4.739 0.435 -3.545 395 HG2 GLU 55 1HG GLU 55 -5.687 2.496 -1.690 396 HG3 GLU 55 2HG GLU 55 -6.362 2.746 -3.287 397 H ARG 56 H ARG 56 -3.951 2.707 0.005 398 HA ARG 56 HA ARG 56 -3.472 0.446 1.567 399 HB2 ARG 56 1HB ARG 56 -3.486 3.019 2.178 400 HB3 ARG 56 2HB ARG 56 -5.199 2.785 2.463 401 HG2 ARG 56 1HG ARG 56 -4.832 1.261 4.249 402 HG3 ARG 56 2HG ARG 56 -3.201 0.888 3.729 403 HD2 ARG 56 1HD ARG 56 -3.406 2.419 5.789 404 HD3 ARG 56 2HD ARG 56 -2.340 2.984 4.518 405 HE ARG 56 HE ARG 56 -4.757 4.116 3.817 406 HH11 ARG 56 2HH2 ARG 56 -2.886 4.085 6.797 407 HH12 ARG 56 1HH2 ARG 56 -3.465 5.629 7.327 408 HH21 ARG 56 2HH1 ARG 56 -5.522 6.153 4.516 409 HH22 ARG 56 1HH1 ARG 56 -4.975 6.813 6.020 410 H LEU 57 H LEU 57 -4.794 -1.331 1.786 411 HA LEU 57 HA LEU 57 -7.407 -1.346 0.736 412 HB2 LEU 57 1HB LEU 57 -5.871 -3.283 2.466 413 HB3 LEU 57 2HB LEU 57 -7.484 -3.605 1.860 414 HG LEU 57 HG LEU 57 -6.049 -4.715 0.381 415 HD11 LEU 57 1HD1 LEU 57 -7.785 -2.978 -0.590 416 HD12 LEU 57 2HD1 LEU 57 -6.312 -2.206 -1.224 417 HD13 LEU 57 3HD1 LEU 57 -6.690 -3.892 -1.655 418 HD21 LEU 57 1HD2 LEU 57 -4.046 -3.218 1.252 419 HD22 LEU 57 2HD2 LEU 57 -3.961 -4.089 -0.298 420 HD23 LEU 57 3HD2 LEU 57 -4.345 -2.351 -0.273 421 H ARG 58 H ARG 58 -6.123 -0.049 3.618 422 HA ARG 58 HA ARG 58 -8.105 -0.717 5.416 423 HB2 ARG 58 1HB ARG 58 -5.918 0.369 6.001 424 HB3 ARG 58 2HB ARG 58 -6.455 1.856 5.244 425 HG2 ARG 58 1HG ARG 58 -8.340 2.021 6.862 426 HG3 ARG 58 2HG ARG 58 -7.859 0.506 7.599 427 HD2 ARG 58 1HD ARG 58 -6.078 1.456 8.725 428 HD3 ARG 58 2HD ARG 58 -5.681 2.539 7.406 429 HE ARG 58 HE ARG 58 -7.073 4.173 8.348 430 HH11 ARG 58 2HH2 ARG 58 -7.793 1.051 9.805 431 HH12 ARG 58 1HH2 ARG 58 -8.843 1.713 11.012 432 HH21 ARG 58 2HH1 ARG 58 -8.459 5.047 9.941 433 HH22 ARG 58 1HH1 ARG 58 -9.225 4.001 11.090 434 H ASP 59 H ASP 59 -7.648 2.448 3.656 435 HA ASP 59 HA ASP 59 -10.540 2.764 3.834 436 HB2 ASP 59 1HB ASP 59 -8.809 4.464 4.894 437 HB3 ASP 59 2HB ASP 59 -8.584 5.008 3.243 438 H GLY 60 H GLY 60 -7.656 2.559 1.802 439 HA2 GLY 60 1HA GLY 60 -7.962 1.857 -0.473 440 HA3 GLY 60 2HA GLY 60 -9.335 2.938 -0.600 441 H GLU 61 H GLU 61 -7.036 4.502 1.324 442 HA GLU 61 HA GLU 61 -6.566 6.470 -0.525 443 HB2 GLU 61 1HB GLU 61 -5.537 5.727 2.159 444 HB3 GLU 61 2HB GLU 61 -4.428 6.704 1.217 445 HG2 GLU 61 1HG GLU 61 -6.210 7.919 2.706 446 HG3 GLU 61 2HG GLU 61 -5.917 8.528 1.089 447 H THR 62 H THR 62 -5.147 6.715 -2.215 448 HA THR 62 HA THR 62 -3.097 4.621 -2.500 449 HB THR 62 HB THR 62 -4.094 6.379 -4.757 450 HG1 THR 62 1HG THR 62 -6.019 5.178 -4.741 451 HG21 THR 62 1HG2 THR 62 -3.096 3.527 -4.390 452 HG22 THR 62 2HG2 THR 62 -4.071 3.966 -5.813 453 HG23 THR 62 3HG2 THR 62 -2.508 4.767 -5.523 454 H GLY 63 H GLY 63 -1.087 5.194 -1.994 455 HA2 GLY 63 1HA GLY 63 -0.153 7.835 -2.854 456 HA3 GLY 63 2HA GLY 63 -0.053 7.444 -1.149 457 H TRP 64 H TRP 64 2.353 7.877 -1.897 458 HA TRP 64 HA TRP 64 3.513 5.479 -3.085 459 HB2 TRP 64 1HB TRP 64 4.510 8.268 -2.573 460 HB3 TRP 64 2HB TRP 64 5.626 6.956 -2.892 461 HD1 TRP 64 HD TRP 64 3.043 9.154 -4.669 462 HE1 TRP 64 1HE TRP 64 3.140 8.845 -7.288 463 HE3 TRP 64 3HE TRP 64 6.202 5.171 -4.608 464 HZ2 TRP 64 2HZ TRP 64 4.497 7.011 -9.002 465 HZ3 TRP 64 3HZ TRP 64 6.864 4.180 -6.798 466 HH2 TRP 64 HH TRP 64 6.065 5.036 -8.943 467 H PHE 65 H PHE 65 4.798 4.053 -1.894 468 HA PHE 65 HA PHE 65 5.407 4.803 0.856 469 HB2 PHE 65 1HB PHE 65 4.288 2.850 1.706 470 HB3 PHE 65 2HB PHE 65 3.172 3.437 0.490 471 HD1 PHE 65 1HD PHE 65 6.007 1.055 0.910 472 HD2 PHE 65 2HD PHE 65 2.430 1.995 -1.172 473 HE1 PHE 65 1HE PHE 65 6.093 -1.172 -0.245 474 HE2 PHE 65 2HE PHE 65 2.517 -0.232 -2.326 475 HZ PHE 65 HZ PHE 65 4.347 -1.789 -1.849 476 HA PRO 66 HA PRO 66 9.097 2.842 -0.368 477 HB2 PRO 66 1HB PRO 66 10.478 3.090 1.977 478 HB3 PRO 66 2HB PRO 66 10.375 4.371 0.786 479 HG2 PRO 66 1HG PRO 66 8.984 4.139 3.384 480 HG3 PRO 66 2HG PRO 66 9.230 5.564 2.394 481 HD2 PRO 66 1HD PRO 66 6.808 4.050 2.650 482 HD3 PRO 66 2HD PRO 66 7.088 5.404 1.573 483 H GLU 67 H GLU 67 10.221 0.878 -0.305 484 HA GLU 67 HA GLU 67 8.614 -1.162 0.738 485 HB2 GLU 67 1HB GLU 67 10.695 -2.590 0.098 486 HB3 GLU 67 2HB GLU 67 9.844 -1.750 -1.183 487 HG2 GLU 67 1HG GLU 67 11.659 -0.471 -1.673 488 HG3 GLU 67 2HG GLU 67 11.871 -0.004 0.002 489 H ASP 68 H ASP 68 11.538 0.556 1.875 490 HA ASP 68 HA ASP 68 12.446 -1.146 3.753 491 HB2 ASP 68 1HB ASP 68 12.145 1.888 3.871 492 HB3 ASP 68 2HB ASP 68 13.076 0.983 5.048 493 H PHE 69 H PHE 69 9.423 0.662 3.636 494 HA PHE 69 HA PHE 69 8.908 0.021 6.451 495 HB2 PHE 69 1HB PHE 69 7.716 2.014 4.433 496 HB3 PHE 69 2HB PHE 69 7.044 1.778 6.034 497 HD1 PHE 69 2HD PHE 69 10.165 2.780 4.284 498 HD2 PHE 69 1HD PHE 69 7.880 2.984 7.854 499 HE1 PHE 69 2HE PHE 69 11.754 4.493 5.202 500 HE2 PHE 69 1HE PHE 69 9.469 4.697 8.772 501 HZ PHE 69 HZ PHE 69 11.386 5.431 7.436 502 H ALA 70 H ALA 70 8.778 -2.012 4.374 503 HA ALA 70 HA ALA 70 6.215 -3.020 4.920 504 HB1 ALA 70 1HB ALA 70 4.994 -2.581 3.038 505 HB2 ALA 70 2HB ALA 70 6.037 -1.141 2.969 506 HB3 ALA 70 3HB ALA 70 6.426 -2.571 1.982 507 H ARG 71 H ARG 71 5.902 -5.174 3.767 508 HA ARG 71 HA ARG 71 8.420 -6.167 2.739 509 HB2 ARG 71 1HB ARG 71 8.125 -8.263 4.140 510 HB3 ARG 71 2HB ARG 71 8.473 -6.829 5.085 511 HG2 ARG 71 1HG ARG 71 6.049 -6.545 5.581 512 HG3 ARG 71 2HG ARG 71 5.670 -7.943 4.594 513 HD2 ARG 71 1HD ARG 71 5.958 -9.247 6.431 514 HD3 ARG 71 2HD ARG 71 7.666 -8.857 6.390 515 HE ARG 71 HE ARG 71 6.054 -6.770 7.659 516 HH11 ARG 71 2HH2 ARG 71 7.752 -9.807 8.184 517 HH12 ARG 71 1HH2 ARG 71 7.964 -9.542 9.882 518 HH21 ARG 71 2HH1 ARG 71 6.332 -6.421 9.900 519 HH22 ARG 71 1HH1 ARG 71 7.150 -7.604 10.865 520 H PHE 72 H PHE 72 8.115 -7.496 0.945 521 HA PHE 72 HA PHE 72 5.526 -7.740 -0.118 522 HB2 PHE 72 1HB PHE 72 8.345 -8.753 -0.656 523 HB3 PHE 72 2HB PHE 72 7.037 -9.493 -1.557 524 HD1 PHE 72 1HD PHE 72 8.775 -6.304 -0.901 525 HD2 PHE 72 2HD PHE 72 5.990 -8.352 -3.362 526 HE1 PHE 72 1HE PHE 72 8.840 -4.413 -2.549 527 HE2 PHE 72 2HE PHE 72 6.055 -6.460 -5.011 528 HZ PHE 72 HZ PHE 72 7.480 -4.513 -4.584 529 H ILE 73 H ILE 73 3.983 -9.020 0.817 530 HA ILE 73 HA ILE 73 4.525 -11.221 2.412 531 HB ILE 73 HB ILE 73 2.049 -10.547 0.819 532 HG12 ILE 73 1HG1 ILE 73 2.997 -9.725 3.571 533 HG13 ILE 73 2HG1 ILE 73 2.593 -8.691 2.214 534 HG21 ILE 73 1HG2 ILE 73 2.509 -12.943 1.955 535 HG22 ILE 73 2HG2 ILE 73 1.873 -12.061 3.364 536 HG23 ILE 73 3HG2 ILE 73 0.902 -12.182 1.876 537 HD11 ILE 73 1HD1 ILE 73 0.237 -9.271 2.360 538 HD12 ILE 73 2HD1 ILE 73 0.576 -10.551 3.549 539 HD13 ILE 73 3HD1 ILE 73 0.791 -8.841 3.997 540 H SER 74 H SER 74 3.080 -11.319 -0.924 541 HA SER 74 HA SER 74 4.857 -13.517 -1.500 542 HB2 SER 74 1HB SER 74 1.990 -13.812 -0.951 543 HB3 SER 74 2HB SER 74 2.389 -14.378 -2.561 544 HG SER 74 HG SER 74 3.253 -15.358 -0.025 545 H GLY 75 H GLY 75 5.885 -12.530 -3.232 546 HA2 GLY 75 1HA GLY 75 4.204 -11.839 -5.531 547 HA3 GLY 75 2HA GLY 75 5.262 -10.601 -4.884 548 HA PRO 76 HA PRO 76 8.596 -12.374 -7.015 549 HB2 PRO 76 1HB PRO 76 10.753 -11.776 -5.447 550 HB3 PRO 76 2HB PRO 76 9.993 -10.613 -6.515 551 HG2 PRO 76 1HG PRO 76 9.818 -10.818 -3.571 552 HG3 PRO 76 2HG PRO 76 9.433 -9.454 -4.601 553 HD2 PRO 76 1HD PRO 76 7.569 -11.236 -3.347 554 HD3 PRO 76 2HD PRO 76 7.191 -9.944 -4.469 555 H SER 77 H SER 77 10.126 -14.091 -7.293 556 HA SER 77 HA SER 77 9.421 -16.189 -5.461 557 HB2 SER 77 1HB SER 77 10.868 -16.075 -8.125 558 HB3 SER 77 2HB SER 77 10.921 -17.530 -7.148 559 HG SER 77 HG SER 77 9.120 -17.227 -8.841 560 H SER 78 H SER 78 12.474 -14.804 -6.893 561 HA SER 78 HA SER 78 14.479 -14.568 -6.100 562 HB2 SER 78 1HB SER 78 13.476 -13.355 -4.226 563 HB3 SER 78 2HB SER 78 13.117 -14.851 -3.388 564 HG SER 78 HG SER 78 15.526 -15.235 -3.432 565 H GLY 79 H GLY 79 16.345 -15.873 -5.612 566 HA2 GLY 79 1HA GLY 79 17.405 -17.755 -4.743 567 HA3 GLY 79 2HA GLY 79 15.858 -18.547 -4.521 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -17.103 18.854 5.504 2 HA2 GLY 1 1HA GLY 1 -17.501 16.797 6.402 3 HA3 GLY 1 2HA GLY 1 -19.198 17.190 6.593 4 H SER 2 H SER 2 -18.201 14.674 5.577 5 HA SER 2 HA SER 2 -18.589 13.240 3.996 6 HB2 SER 2 1HB SER 2 -20.861 14.675 4.031 7 HB3 SER 2 2HB SER 2 -20.350 15.100 2.410 8 HG SER 2 HG SER 2 -20.045 12.630 2.177 9 H SER 3 H SER 3 -17.273 12.616 2.300 10 HA SER 3 HA SER 3 -16.858 14.226 0.067 11 HB2 SER 3 1HB SER 3 -14.372 14.630 0.417 12 HB3 SER 3 2HB SER 3 -15.430 15.622 1.402 13 HG SER 3 HG SER 3 -15.123 13.873 3.102 14 H GLY 4 H GLY 4 -15.096 13.189 -1.401 15 HA2 GLY 4 1HA GLY 4 -14.073 11.384 -2.290 16 HA3 GLY 4 2HA GLY 4 -14.084 10.616 -0.715 17 H SER 5 H SER 5 -15.059 10.097 -3.783 18 HA SER 5 HA SER 5 -16.976 8.195 -2.968 19 HB2 SER 5 1HB SER 5 -17.885 10.777 -4.186 20 HB3 SER 5 2HB SER 5 -18.626 9.321 -4.819 21 HG SER 5 HG SER 5 -18.739 8.901 -2.245 22 H SER 6 H SER 6 -16.036 10.225 -5.848 23 HA SER 6 HA SER 6 -16.101 7.935 -7.523 24 HB2 SER 6 1HB SER 6 -15.674 9.436 -9.303 25 HB3 SER 6 2HB SER 6 -16.611 10.386 -8.167 26 HG SER 6 HG SER 6 -14.983 11.774 -8.323 27 H GLY 7 H GLY 7 -14.089 7.454 -8.982 28 HA2 GLY 7 1HA GLY 7 -11.564 7.846 -7.530 29 HA3 GLY 7 2HA GLY 7 -12.110 6.214 -7.858 30 H TRP 8 H TRP 8 -10.671 5.505 -9.420 31 HA TRP 8 HA TRP 8 -10.019 7.275 -11.618 32 HB2 TRP 8 1HB TRP 8 -9.009 4.645 -10.605 33 HB3 TRP 8 2HB TRP 8 -8.704 5.098 -12.270 34 HD1 TRP 8 HD TRP 8 -6.814 6.947 -12.683 35 HE1 TRP 8 1HE TRP 8 -5.052 8.239 -11.204 36 HE3 TRP 8 3HE TRP 8 -8.834 5.640 -8.204 37 HZ2 TRP 8 2HZ TRP 8 -4.708 8.562 -8.390 38 HZ3 TRP 8 3HZ TRP 8 -7.724 6.486 -6.138 39 HH2 TRP 8 HH TRP 8 -5.730 7.899 -6.181 40 H GLN 9 H GLN 9 -12.073 7.477 -12.684 41 HA GLN 9 HA GLN 9 -13.861 5.556 -13.187 42 HB2 GLN 9 1HB GLN 9 -13.795 8.082 -13.860 43 HB3 GLN 9 2HB GLN 9 -13.079 7.526 -15.360 44 HG2 GLN 9 1HG GLN 9 -15.042 6.007 -15.726 45 HG3 GLN 9 2HG GLN 9 -15.760 6.584 -14.235 46 HE21 GLN 9 1HE2 GLN 9 -14.806 7.400 -17.497 47 HE22 GLN 9 2HE2 GLN 9 -15.761 8.833 -17.684 48 H GLY 10 H GLY 10 -11.130 6.427 -15.437 49 HA2 GLY 10 1HA GLY 10 -11.570 4.101 -17.059 50 HA3 GLY 10 2HA GLY 10 -10.272 5.271 -17.188 51 H LEU 11 H LEU 11 -8.425 4.016 -17.221 52 HA LEU 11 HA LEU 11 -6.920 2.506 -16.612 53 HB2 LEU 11 1HB LEU 11 -7.738 3.906 -14.135 54 HB3 LEU 11 2HB LEU 11 -6.787 2.450 -13.919 55 HG LEU 11 HG LEU 11 -5.353 4.399 -13.934 56 HD11 LEU 11 1HD1 LEU 11 -5.078 2.172 -15.726 57 HD12 LEU 11 2HD1 LEU 11 -4.306 3.610 -16.438 58 HD13 LEU 11 3HD1 LEU 11 -3.828 3.054 -14.816 59 HD21 LEU 11 1HD2 LEU 11 -6.591 6.005 -15.157 60 HD22 LEU 11 2HD2 LEU 11 -5.090 5.725 -16.071 61 HD23 LEU 11 3HD2 LEU 11 -6.615 4.987 -16.617 62 H SER 12 H SER 12 -8.371 0.835 -17.593 63 HA SER 12 HA SER 12 -9.546 -0.847 -15.530 64 HB2 SER 12 1HB SER 12 -10.566 0.035 -17.985 65 HB3 SER 12 2HB SER 12 -10.066 -1.609 -18.332 66 HG SER 12 HG SER 12 -12.224 -0.713 -16.862 67 H SER 13 H SER 13 -7.395 -1.681 -14.902 68 HA SER 13 HA SER 13 -6.764 -3.998 -16.367 69 HB2 SER 13 1HB SER 13 -5.531 -2.373 -17.766 70 HB3 SER 13 2HB SER 13 -4.710 -1.742 -16.353 71 HG SER 13 HG SER 13 -3.588 -3.447 -17.761 72 H LYS 14 H LYS 14 -7.195 -4.967 -14.305 73 HA LYS 14 HA LYS 14 -4.972 -4.707 -12.452 74 HB2 LYS 14 1HB LYS 14 -6.762 -3.086 -11.735 75 HB3 LYS 14 2HB LYS 14 -7.840 -4.449 -11.506 76 HG2 LYS 14 1HG LYS 14 -6.676 -5.251 -9.652 77 HG3 LYS 14 2HG LYS 14 -5.132 -4.644 -10.217 78 HD2 LYS 14 1HD LYS 14 -5.737 -3.276 -8.331 79 HD3 LYS 14 2HD LYS 14 -5.981 -2.280 -9.752 80 HE2 LYS 14 1HE LYS 14 -8.456 -3.158 -9.686 81 HE3 LYS 14 2HE LYS 14 -8.085 -3.665 -8.050 82 HZ1 LYS 14 1HZ LYS 14 -7.680 -0.926 -9.032 83 HZ2 LYS 14 2HZ LYS 14 -9.007 -1.417 -8.217 84 HZ3 LYS 14 3HZ LYS 14 -7.546 -1.439 -7.488 85 H GLY 15 H GLY 15 -4.759 -6.584 -11.039 86 HA2 GLY 15 1HA GLY 15 -6.523 -8.838 -11.571 87 HA3 GLY 15 2HA GLY 15 -4.879 -8.996 -12.154 88 H ASP 16 H ASP 16 -3.296 -9.683 -10.750 89 HA ASP 16 HA ASP 16 -4.047 -9.647 -7.932 90 HB2 ASP 16 1HB ASP 16 -2.145 -11.606 -9.292 91 HB3 ASP 16 2HB ASP 16 -2.765 -11.712 -7.656 92 H LEU 17 H LEU 17 -2.943 -7.386 -8.182 93 HA LEU 17 HA LEU 17 -0.204 -7.243 -8.800 94 HB2 LEU 17 1HB LEU 17 -2.261 -5.461 -7.596 95 HB3 LEU 17 2HB LEU 17 -0.578 -5.046 -7.341 96 HG LEU 17 HG LEU 17 -1.833 -5.485 -10.064 97 HD11 LEU 17 1HD1 LEU 17 -2.718 -3.459 -9.922 98 HD12 LEU 17 2HD1 LEU 17 -2.055 -3.250 -8.283 99 HD13 LEU 17 3HD1 LEU 17 -1.088 -2.778 -9.701 100 HD21 LEU 17 1HD2 LEU 17 0.538 -5.926 -10.101 101 HD22 LEU 17 2HD2 LEU 17 0.218 -4.366 -10.895 102 HD23 LEU 17 3HD2 LEU 17 0.875 -4.405 -9.241 103 HA PRO 18 HA PRO 18 1.660 -8.381 -5.078 104 HB2 PRO 18 1HB PRO 18 3.799 -6.693 -4.863 105 HB3 PRO 18 2HB PRO 18 3.783 -8.090 -5.921 106 HG2 PRO 18 1HG PRO 18 3.522 -5.231 -6.623 107 HG3 PRO 18 2HG PRO 18 3.931 -6.583 -7.660 108 HD2 PRO 18 1HD PRO 18 1.399 -5.242 -7.506 109 HD3 PRO 18 2HD PRO 18 1.775 -6.666 -8.456 110 H GLN 19 H GLN 19 1.728 -8.179 -2.844 111 HA GLN 19 HA GLN 19 0.775 -5.554 -2.001 112 HB2 GLN 19 1HB GLN 19 -0.318 -8.277 -1.457 113 HB3 GLN 19 2HB GLN 19 -0.240 -7.213 -0.067 114 HG2 GLN 19 1HG GLN 19 -1.473 -5.449 -1.361 115 HG3 GLN 19 2HG GLN 19 -1.570 -6.533 -2.733 116 HE21 GLN 19 1HE2 GLN 19 -3.293 -7.743 -2.921 117 HE22 GLN 19 2HE2 GLN 19 -4.414 -8.173 -1.672 118 H VAL 20 H VAL 20 1.499 -4.837 0.123 119 HA VAL 20 HA VAL 20 3.603 -6.482 1.308 120 HB VAL 20 HB VAL 20 5.123 -4.636 1.409 121 HG11 VAL 20 1HG1 VAL 20 4.337 -4.415 -1.456 122 HG12 VAL 20 2HG1 VAL 20 5.908 -4.816 -0.721 123 HG13 VAL 20 3HG1 VAL 20 4.632 -6.053 -0.825 124 HG21 VAL 20 1HG2 VAL 20 3.316 -2.907 -0.271 125 HG22 VAL 20 2HG2 VAL 20 3.161 -2.923 1.502 126 HG23 VAL 20 3HG2 VAL 20 4.700 -2.444 0.748 127 H GLU 21 H GLU 21 3.723 -6.322 3.557 128 HA GLU 21 HA GLU 21 1.518 -4.828 4.701 129 HB2 GLU 21 1HB GLU 21 1.675 -7.263 5.192 130 HB3 GLU 21 2HB GLU 21 3.260 -7.027 5.900 131 HG2 GLU 21 1HG GLU 21 2.304 -5.555 7.645 132 HG3 GLU 21 2HG GLU 21 0.720 -5.657 6.903 133 H ILE 22 H ILE 22 1.929 -2.871 5.624 134 HA ILE 22 HA ILE 22 4.534 -1.897 5.913 135 HB ILE 22 HB ILE 22 1.986 -0.894 7.187 136 HG12 ILE 22 1HG1 ILE 22 1.547 -1.147 4.854 137 HG13 ILE 22 2HG1 ILE 22 1.827 0.556 5.162 138 HG21 ILE 22 1HG2 ILE 22 3.573 1.266 6.497 139 HG22 ILE 22 2HG2 ILE 22 3.353 0.592 8.129 140 HG23 ILE 22 3HG2 ILE 22 4.737 0.079 7.134 141 HD11 ILE 22 1HD1 ILE 22 3.351 -1.306 3.476 142 HD12 ILE 22 2HD1 ILE 22 3.353 0.474 3.482 143 HD13 ILE 22 3HD1 ILE 22 4.397 -0.422 4.612 144 H THR 23 H THR 23 6.052 -2.401 7.389 145 HA THR 23 HA THR 23 5.316 -3.913 9.715 146 HB THR 23 HB THR 23 7.826 -3.869 10.040 147 HG1 THR 23 1HG THR 23 8.979 -2.574 8.484 148 HG21 THR 23 1HG2 THR 23 6.454 -5.162 7.981 149 HG22 THR 23 2HG2 THR 23 7.702 -4.252 7.097 150 HG23 THR 23 3HG2 THR 23 8.175 -5.408 8.365 151 H LYS 24 H LYS 24 6.426 -0.562 9.020 152 HA LYS 24 HA LYS 24 5.615 0.078 11.767 153 HB2 LYS 24 1HB LYS 24 7.465 1.581 12.008 154 HB3 LYS 24 2HB LYS 24 8.090 0.008 11.558 155 HG2 LYS 24 1HG LYS 24 7.517 1.500 9.138 156 HG3 LYS 24 2HG LYS 24 8.470 2.512 10.204 157 HD2 LYS 24 1HD LYS 24 9.927 0.292 10.508 158 HD3 LYS 24 2HD LYS 24 9.187 -0.162 8.986 159 HE2 LYS 24 1HE LYS 24 10.562 1.228 7.831 160 HE3 LYS 24 2HE LYS 24 10.083 2.599 8.812 161 HZ1 LYS 24 1HZ LYS 24 11.809 2.278 10.221 162 HZ2 LYS 24 2HZ LYS 24 11.912 0.668 9.971 163 HZ3 LYS 24 3HZ LYS 24 12.498 1.707 8.855 164 H ALA 25 H ALA 25 4.730 2.237 12.048 165 HA ALA 25 HA ALA 25 3.050 2.963 9.913 166 HB1 ALA 25 1HB ALA 25 2.601 4.955 11.463 167 HB2 ALA 25 2HB ALA 25 2.310 3.338 12.148 168 HB3 ALA 25 3HB ALA 25 3.791 4.230 12.570 169 H PHE 26 H PHE 26 3.489 4.155 8.130 170 HA PHE 26 HA PHE 26 6.000 5.620 8.099 171 HB2 PHE 26 1HB PHE 26 5.459 4.040 6.254 172 HB3 PHE 26 2HB PHE 26 3.884 4.776 6.036 173 HD1 PHE 26 1HD PHE 26 7.233 6.377 6.386 174 HD2 PHE 26 2HD PHE 26 3.886 5.640 3.884 175 HE1 PHE 26 1HE PHE 26 8.193 7.914 4.649 176 HE2 PHE 26 2HE PHE 26 4.846 7.177 2.147 177 HZ PHE 26 HZ PHE 26 6.988 8.295 2.551 178 H PHE 27 H PHE 27 6.154 7.841 7.977 179 HA PHE 27 HA PHE 27 3.596 9.266 8.047 180 HB2 PHE 27 1HB PHE 27 6.450 10.074 8.871 181 HB3 PHE 27 2HB PHE 27 5.008 11.018 9.186 182 HD1 PHE 27 1HD PHE 27 3.089 9.329 10.339 183 HD2 PHE 27 2HD PHE 27 7.305 9.117 10.773 184 HE1 PHE 27 1HE PHE 27 2.803 8.158 12.541 185 HE2 PHE 27 2HE PHE 27 7.019 7.945 12.975 186 HZ PHE 27 HZ PHE 27 4.772 7.480 13.832 187 H ALA 28 H ALA 28 3.070 9.899 5.984 188 HA ALA 28 HA ALA 28 4.670 10.220 3.849 189 HB1 ALA 28 1HB ALA 28 2.263 10.365 3.700 190 HB2 ALA 28 2HB ALA 28 2.238 11.837 4.701 191 HB3 ALA 28 3HB ALA 28 2.938 11.885 3.065 192 H LYS 29 H LYS 29 6.104 11.728 3.011 193 HA LYS 29 HA LYS 29 6.693 13.984 4.798 194 HB2 LYS 29 1HB LYS 29 8.603 12.421 3.034 195 HB3 LYS 29 2HB LYS 29 9.022 13.809 4.018 196 HG2 LYS 29 1HG LYS 29 7.783 11.265 5.163 197 HG3 LYS 29 2HG LYS 29 9.512 11.532 5.075 198 HD2 LYS 29 1HD LYS 29 9.136 13.710 6.388 199 HD3 LYS 29 2HD LYS 29 7.479 13.192 6.631 200 HE2 LYS 29 1HE LYS 29 8.514 10.970 7.556 201 HE3 LYS 29 2HE LYS 29 10.022 11.859 7.638 202 HZ1 LYS 29 1HZ LYS 29 9.156 12.340 9.646 203 HZ2 LYS 29 2HZ LYS 29 8.478 13.577 8.824 204 HZ3 LYS 29 3HZ LYS 29 7.597 12.245 9.166 205 H GLN 30 H GLN 30 6.227 12.800 1.455 206 HA GLN 30 HA GLN 30 6.490 15.533 0.526 207 HB2 GLN 30 1HB GLN 30 5.981 13.126 -1.246 208 HB3 GLN 30 2HB GLN 30 6.752 14.643 -1.665 209 HG2 GLN 30 1HG GLN 30 7.952 12.753 0.402 210 HG3 GLN 30 2HG GLN 30 8.292 12.584 -1.309 211 HE21 GLN 30 1HE2 GLN 30 10.021 13.554 -2.020 212 HE22 GLN 30 2HE2 GLN 30 10.788 14.960 -1.361 213 H ALA 31 H ALA 31 4.797 15.925 -1.470 214 HA ALA 31 HA ALA 31 2.230 15.855 -0.177 215 HB1 ALA 31 1HB ALA 31 2.941 16.888 -2.945 216 HB2 ALA 31 2HB ALA 31 1.578 17.375 -1.909 217 HB3 ALA 31 3HB ALA 31 3.241 17.816 -1.456 218 H ASP 32 H ASP 32 4.036 13.725 -2.121 219 HA ASP 32 HA ASP 32 1.568 12.586 -3.175 220 HB2 ASP 32 1HB ASP 32 4.451 12.433 -4.153 221 HB3 ASP 32 2HB ASP 32 3.212 11.348 -4.749 222 H GLU 33 H GLU 33 2.076 12.050 -0.514 223 HA GLU 33 HA GLU 33 3.034 9.312 -0.645 224 HB2 GLU 33 1HB GLU 33 3.911 11.460 1.310 225 HB3 GLU 33 2HB GLU 33 3.981 9.766 1.753 226 HG2 GLU 33 1HG GLU 33 5.307 9.379 -0.427 227 HG3 GLU 33 2HG GLU 33 5.413 11.122 -0.573 228 H VAL 34 H VAL 34 2.272 8.018 1.348 229 HA VAL 34 HA VAL 34 -0.186 9.159 2.453 230 HB VAL 34 HB VAL 34 -0.883 7.852 0.567 231 HG11 VAL 34 1HG1 VAL 34 1.354 6.417 0.765 232 HG12 VAL 34 2HG1 VAL 34 0.266 5.303 1.627 233 HG13 VAL 34 3HG1 VAL 34 -0.101 5.788 -0.046 234 HG21 VAL 34 1HG2 VAL 34 -1.817 5.768 2.138 235 HG22 VAL 34 2HG2 VAL 34 -1.489 7.058 3.320 236 HG23 VAL 34 3HG2 VAL 34 -2.581 7.364 1.948 237 H THR 35 H THR 35 -0.468 8.736 4.619 238 HA THR 35 HA THR 35 1.748 7.458 5.954 239 HB THR 35 HB THR 35 -0.817 8.810 6.947 240 HG1 THR 35 1HG THR 35 0.577 10.305 5.910 241 HG21 THR 35 1HG2 THR 35 -0.060 8.527 9.098 242 HG22 THR 35 2HG2 THR 35 0.940 7.213 8.435 243 HG23 THR 35 3HG2 THR 35 1.625 8.845 8.622 244 H LEU 36 H LEU 36 1.858 5.461 6.817 245 HA LEU 36 HA LEU 36 -0.644 3.921 6.791 246 HB2 LEU 36 1HB LEU 36 2.052 2.706 6.265 247 HB3 LEU 36 2HB LEU 36 0.462 2.031 5.969 248 HG LEU 36 HG LEU 36 1.315 4.496 4.478 249 HD11 LEU 36 1HD1 LEU 36 1.907 1.834 3.264 250 HD12 LEU 36 2HD1 LEU 36 2.658 3.422 2.979 251 HD13 LEU 36 3HD1 LEU 36 3.059 2.499 4.447 252 HD21 LEU 36 1HD2 LEU 36 -0.058 3.136 2.696 253 HD22 LEU 36 2HD2 LEU 36 -0.690 2.299 4.134 254 HD23 LEU 36 3HD2 LEU 36 -0.881 4.062 3.975 255 H GLN 37 H GLN 37 -0.523 1.984 8.332 256 HA GLN 37 HA GLN 37 0.932 2.870 10.700 257 HB2 GLN 37 1HB GLN 37 -1.791 1.604 10.339 258 HB3 GLN 37 2HB GLN 37 -0.932 1.380 11.850 259 HG2 GLN 37 1HG GLN 37 -1.409 4.128 10.612 260 HG3 GLN 37 2HG GLN 37 -2.518 3.396 11.756 261 HE21 GLN 37 1HE2 GLN 37 -1.033 5.825 12.045 262 HE22 GLN 37 2HE2 GLN 37 0.003 5.673 13.426 263 H GLN 38 H GLN 38 1.236 0.867 12.315 264 HA GLN 38 HA GLN 38 2.888 -0.917 10.915 265 HB2 GLN 38 1HB GLN 38 3.442 -0.224 13.186 266 HB3 GLN 38 2HB GLN 38 1.927 -0.849 13.805 267 HG2 GLN 38 1HG GLN 38 3.364 -2.935 12.338 268 HG3 GLN 38 2HG GLN 38 4.392 -2.243 13.577 269 HE21 GLN 38 1HE2 GLN 38 4.385 -3.907 14.976 270 HE22 GLN 38 2HE2 GLN 38 2.999 -4.472 15.848 271 H ALA 39 H ALA 39 2.447 -2.907 10.035 272 HA ALA 39 HA ALA 39 1.399 -4.811 9.587 273 HB1 ALA 39 1HB ALA 39 0.646 -4.273 12.307 274 HB2 ALA 39 2HB ALA 39 -0.772 -4.920 11.446 275 HB3 ALA 39 3HB ALA 39 0.751 -5.842 11.472 276 H ASP 40 H ASP 40 0.840 -2.614 8.062 277 HA ASP 40 HA ASP 40 -2.060 -2.722 7.798 278 HB2 ASP 40 1HB ASP 40 0.006 -0.590 7.204 279 HB3 ASP 40 2HB ASP 40 -1.482 -0.601 6.278 280 H VAL 41 H VAL 41 -2.910 -3.225 5.682 281 HA VAL 41 HA VAL 41 -0.931 -4.368 3.869 282 HB VAL 41 HB VAL 41 -3.946 -4.607 3.951 283 HG11 VAL 41 1HG1 VAL 41 -3.279 -5.052 1.728 284 HG12 VAL 41 2HG1 VAL 41 -1.824 -5.934 2.251 285 HG13 VAL 41 3HG1 VAL 41 -3.435 -6.650 2.496 286 HG21 VAL 41 1HG2 VAL 41 -1.790 -6.503 4.942 287 HG22 VAL 41 2HG2 VAL 41 -2.946 -5.592 5.943 288 HG23 VAL 41 3HG2 VAL 41 -3.529 -6.874 4.853 289 H VAL 42 H VAL 42 -0.602 -3.621 1.780 290 HA VAL 42 HA VAL 42 -2.332 -1.456 0.867 291 HB VAL 42 HB VAL 42 0.654 -1.327 1.265 292 HG11 VAL 42 1HG1 VAL 42 -1.038 0.584 -0.381 293 HG12 VAL 42 2HG1 VAL 42 0.703 0.725 -0.038 294 HG13 VAL 42 3HG1 VAL 42 0.100 -0.613 -1.046 295 HG21 VAL 42 1HG2 VAL 42 0.259 0.408 2.728 296 HG22 VAL 42 2HG2 VAL 42 -1.281 0.858 1.956 297 HG23 VAL 42 3HG2 VAL 42 -1.196 -0.580 3.001 298 H LEU 43 H LEU 43 -2.863 -1.693 -1.260 299 HA LEU 43 HA LEU 43 -1.648 -3.925 -2.643 300 HB2 LEU 43 1HB LEU 43 -4.105 -3.601 -2.502 301 HB3 LEU 43 2HB LEU 43 -3.944 -2.130 -3.441 302 HG LEU 43 HG LEU 43 -3.008 -3.466 -5.325 303 HD11 LEU 43 1HD1 LEU 43 -2.058 -5.355 -4.272 304 HD12 LEU 43 2HD1 LEU 43 -3.588 -5.776 -3.466 305 HD13 LEU 43 3HD1 LEU 43 -3.431 -5.964 -5.229 306 HD21 LEU 43 1HD2 LEU 43 -5.507 -4.887 -5.057 307 HD22 LEU 43 2HD2 LEU 43 -5.673 -3.213 -4.474 308 HD23 LEU 43 3HD2 LEU 43 -5.078 -3.527 -6.122 309 H VAL 44 H VAL 44 0.236 -3.581 -3.693 310 HA VAL 44 HA VAL 44 1.157 -1.043 -4.395 311 HB VAL 44 HB VAL 44 1.916 -3.808 -5.353 312 HG11 VAL 44 1HG1 VAL 44 3.066 -1.104 -5.943 313 HG12 VAL 44 2HG1 VAL 44 4.175 -2.481 -5.739 314 HG13 VAL 44 3HG1 VAL 44 2.911 -2.534 -6.991 315 HG21 VAL 44 1HG2 VAL 44 2.652 -2.121 -2.998 316 HG22 VAL 44 2HG2 VAL 44 2.451 -3.885 -3.128 317 HG23 VAL 44 3HG2 VAL 44 3.928 -3.109 -3.747 318 H LEU 45 H LEU 45 0.989 0.204 -6.235 319 HA LEU 45 HA LEU 45 -0.692 -0.937 -8.359 320 HB2 LEU 45 1HB LEU 45 -0.582 1.851 -7.219 321 HB3 LEU 45 2HB LEU 45 -1.319 1.488 -8.767 322 HG LEU 45 HG LEU 45 -2.224 -0.085 -6.390 323 HD11 LEU 45 1HD1 LEU 45 -2.319 2.813 -6.508 324 HD12 LEU 45 2HD1 LEU 45 -3.952 2.105 -6.466 325 HD13 LEU 45 3HD1 LEU 45 -2.775 1.704 -5.192 326 HD21 LEU 45 1HD2 LEU 45 -4.409 0.749 -7.870 327 HD22 LEU 45 2HD2 LEU 45 -3.139 0.515 -9.095 328 HD23 LEU 45 3HD2 LEU 45 -3.577 -0.819 -8.000 329 H GLN 46 H GLN 46 2.084 1.190 -7.502 330 HA GLN 46 HA GLN 46 3.129 0.583 -10.142 331 HB2 GLN 46 1HB GLN 46 2.466 3.260 -9.048 332 HB3 GLN 46 2HB GLN 46 4.088 3.147 -9.700 333 HG2 GLN 46 1HG GLN 46 3.280 3.226 -11.815 334 HG3 GLN 46 2HG GLN 46 2.320 1.788 -11.529 335 HE21 GLN 46 1HE2 GLN 46 0.188 1.944 -10.869 336 HE22 GLN 46 2HE2 GLN 46 -0.744 3.397 -11.007 337 H GLN 47 H GLN 47 4.972 -0.569 -9.771 338 HA GLN 47 HA GLN 47 6.355 -0.139 -7.292 339 HB2 GLN 47 1HB GLN 47 6.355 -2.224 -9.448 340 HB3 GLN 47 2HB GLN 47 7.841 -2.036 -8.538 341 HG2 GLN 47 1HG GLN 47 6.293 -2.115 -6.412 342 HG3 GLN 47 2HG GLN 47 5.083 -2.770 -7.497 343 HE21 GLN 47 1HE2 GLN 47 8.602 -3.137 -7.039 344 HE22 GLN 47 2HE2 GLN 47 8.637 -4.868 -6.988 345 H GLU 48 H GLU 48 7.825 1.501 -7.166 346 HA GLU 48 HA GLU 48 9.424 1.962 -9.564 347 HB2 GLU 48 1HB GLU 48 7.796 3.814 -8.814 348 HB3 GLU 48 2HB GLU 48 8.828 4.031 -7.414 349 HG2 GLU 48 1HG GLU 48 9.723 5.599 -8.919 350 HG3 GLU 48 2HG GLU 48 10.787 4.227 -9.156 351 H ASP 49 H ASP 49 11.695 2.194 -9.317 352 HA ASP 49 HA ASP 49 12.781 0.794 -7.190 353 HB2 ASP 49 1HB ASP 49 14.220 0.754 -8.992 354 HB3 ASP 49 2HB ASP 49 13.762 2.360 -9.524 355 H GLY 50 H GLY 50 12.560 1.658 -5.091 356 HA2 GLY 50 1HA GLY 50 13.833 3.163 -3.623 357 HA3 GLY 50 2HA GLY 50 13.420 4.466 -4.719 358 H TRP 51 H TRP 51 10.659 3.537 -5.272 359 HA TRP 51 HA TRP 51 9.421 3.657 -2.635 360 HB2 TRP 51 1HB TRP 51 9.046 5.714 -4.810 361 HB3 TRP 51 2HB TRP 51 7.865 5.448 -3.543 362 HD1 TRP 51 HD TRP 51 11.571 6.582 -3.898 363 HE1 TRP 51 1HE TRP 51 12.273 8.124 -1.875 364 HE3 TRP 51 3HE TRP 51 7.238 6.035 -1.294 365 HZ2 TRP 51 2HZ TRP 51 10.967 8.925 0.533 366 HZ3 TRP 51 3HZ TRP 51 7.033 7.231 0.883 367 HH2 TRP 51 HH TRP 51 8.808 8.637 1.804 368 H LEU 52 H LEU 52 7.417 2.564 -2.606 369 HA LEU 52 HA LEU 52 6.656 1.374 -5.183 370 HB2 LEU 52 1HB LEU 52 6.162 0.082 -2.519 371 HB3 LEU 52 2HB LEU 52 6.134 -0.637 -4.116 372 HG LEU 52 HG LEU 52 8.077 -1.361 -2.820 373 HD11 LEU 52 1HD1 LEU 52 8.468 0.220 -5.338 374 HD12 LEU 52 2HD1 LEU 52 9.875 -0.497 -4.516 375 HD13 LEU 52 3HD1 LEU 52 8.541 -1.538 -5.068 376 HD21 LEU 52 1HD2 LEU 52 9.365 1.327 -2.977 377 HD22 LEU 52 2HD2 LEU 52 8.175 1.035 -1.685 378 HD23 LEU 52 3HD2 LEU 52 9.614 -0.004 -1.822 379 H TYR 53 H TYR 53 4.833 2.299 -5.938 380 HA TYR 53 HA TYR 53 3.055 3.627 -4.100 381 HB2 TYR 53 1HB TYR 53 3.814 4.349 -6.482 382 HB3 TYR 53 2HB TYR 53 2.887 3.002 -7.113 383 HD1 TYR 53 1HD TYR 53 2.380 5.934 -4.814 384 HD2 TYR 53 2HD TYR 53 0.757 3.458 -7.903 385 HE1 TYR 53 1HE TYR 53 0.303 7.397 -4.906 386 HE2 TYR 53 2HE TYR 53 -1.315 4.930 -7.984 387 HH TYR 53 HH TYR 53 -2.483 6.457 -6.768 388 H GLY 54 H GLY 54 0.936 3.041 -3.578 389 HA2 GLY 54 1HA GLY 54 -0.314 0.769 -4.835 390 HA3 GLY 54 2HA GLY 54 0.265 0.439 -3.214 391 H GLU 55 H GLU 55 -2.212 0.119 -2.975 392 HA GLU 55 HA GLU 55 -3.304 2.698 -2.171 393 HB2 GLU 55 1HB GLU 55 -4.521 2.142 -4.160 394 HB3 GLU 55 2HB GLU 55 -4.672 0.458 -3.701 395 HG2 GLU 55 1HG GLU 55 -5.809 2.081 -1.589 396 HG3 GLU 55 2HG GLU 55 -6.474 2.622 -3.118 397 H ARG 56 H ARG 56 -3.745 2.751 -0.011 398 HA ARG 56 HA ARG 56 -3.370 0.497 1.548 399 HB2 ARG 56 1HB ARG 56 -3.177 2.968 2.236 400 HB3 ARG 56 2HB ARG 56 -4.926 3.008 2.335 401 HG2 ARG 56 1HG ARG 56 -4.977 1.406 4.127 402 HG3 ARG 56 2HG ARG 56 -3.320 0.911 3.844 403 HD2 ARG 56 1HD ARG 56 -3.575 2.418 5.851 404 HD3 ARG 56 2HD ARG 56 -2.460 3.050 4.656 405 HE ARG 56 HE ARG 56 -4.834 4.192 3.875 406 HH11 ARG 56 2HH2 ARG 56 -3.197 4.006 6.984 407 HH12 ARG 56 1HH2 ARG 56 -3.847 5.505 7.560 408 HH21 ARG 56 2HH1 ARG 56 -5.691 6.169 4.634 409 HH22 ARG 56 1HH1 ARG 56 -5.275 6.744 6.214 410 H LEU 57 H LEU 57 -4.735 -1.243 1.794 411 HA LEU 57 HA LEU 57 -7.348 -1.234 0.793 412 HB2 LEU 57 1HB LEU 57 -5.860 -3.110 2.628 413 HB3 LEU 57 2HB LEU 57 -7.486 -3.422 2.053 414 HG LEU 57 HG LEU 57 -6.020 -4.657 0.667 415 HD11 LEU 57 1HD1 LEU 57 -7.882 -3.326 -0.435 416 HD12 LEU 57 2HD1 LEU 57 -6.617 -2.205 -0.992 417 HD13 LEU 57 3HD1 LEU 57 -6.580 -3.910 -1.499 418 HD21 LEU 57 1HD2 LEU 57 -3.993 -4.005 -0.174 419 HD22 LEU 57 2HD2 LEU 57 -4.442 -2.284 -0.241 420 HD23 LEU 57 3HD2 LEU 57 -4.043 -3.039 1.320 421 H ARG 58 H ARG 58 -5.954 -0.236 3.864 422 HA ARG 58 HA ARG 58 -7.892 -0.620 5.629 423 HB2 ARG 58 1HB ARG 58 -5.707 0.667 5.942 424 HB3 ARG 58 2HB ARG 58 -6.489 2.072 5.245 425 HG2 ARG 58 1HG ARG 58 -7.630 2.535 7.168 426 HG3 ARG 58 2HG ARG 58 -8.115 0.866 7.387 427 HD2 ARG 58 1HD ARG 58 -5.367 0.774 7.913 428 HD3 ARG 58 2HD ARG 58 -5.832 2.327 8.577 429 HE ARG 58 HE ARG 58 -6.703 -0.320 9.529 430 HH11 ARG 58 2HH2 ARG 58 -7.290 3.148 9.597 431 HH12 ARG 58 1HH2 ARG 58 -8.179 3.098 11.083 432 HH21 ARG 58 2HH1 ARG 58 -7.876 -0.388 11.489 433 HH22 ARG 58 1HH1 ARG 58 -8.514 1.072 12.166 434 H ASP 59 H ASP 59 -7.677 2.448 3.663 435 HA ASP 59 HA ASP 59 -10.588 2.538 3.822 436 HB2 ASP 59 1HB ASP 59 -8.722 4.429 4.714 437 HB3 ASP 59 2HB ASP 59 -9.194 5.062 3.149 438 H GLY 60 H GLY 60 -7.628 2.653 1.887 439 HA2 GLY 60 1HA GLY 60 -7.840 1.926 -0.411 440 HA3 GLY 60 2HA GLY 60 -9.255 2.947 -0.566 441 H GLU 61 H GLU 61 -6.583 4.160 1.385 442 HA GLU 61 HA GLU 61 -6.315 6.375 -0.321 443 HB2 GLU 61 1HB GLU 61 -5.554 5.641 2.343 444 HB3 GLU 61 2HB GLU 61 -4.093 6.149 1.519 445 HG2 GLU 61 1HG GLU 61 -5.659 8.152 0.665 446 HG3 GLU 61 2HG GLU 61 -6.603 7.733 2.081 447 H THR 62 H THR 62 -4.988 6.669 -2.069 448 HA THR 62 HA THR 62 -2.921 4.620 -2.500 449 HB THR 62 HB THR 62 -4.017 6.450 -4.652 450 HG1 THR 62 1HG THR 62 -5.205 4.149 -3.283 451 HG21 THR 62 1HG2 THR 62 -3.941 4.202 -5.897 452 HG22 THR 62 2HG2 THR 62 -2.353 4.835 -5.402 453 HG23 THR 62 3HG2 THR 62 -3.121 3.531 -4.466 454 H GLY 63 H GLY 63 -0.921 5.215 -1.969 455 HA2 GLY 63 1HA GLY 63 -0.023 7.875 -2.808 456 HA3 GLY 63 2HA GLY 63 0.100 7.464 -1.109 457 H TRP 64 H TRP 64 2.493 7.932 -1.881 458 HA TRP 64 HA TRP 64 3.661 5.550 -3.097 459 HB2 TRP 64 1HB TRP 64 4.609 8.361 -2.631 460 HB3 TRP 64 2HB TRP 64 5.759 7.071 -2.922 461 HD1 TRP 64 HD TRP 64 3.260 9.269 -4.758 462 HE1 TRP 64 1HE TRP 64 3.317 8.867 -7.366 463 HE3 TRP 64 3HE TRP 64 6.191 5.118 -4.583 464 HZ2 TRP 64 2HZ TRP 64 4.553 6.902 -9.025 465 HZ3 TRP 64 3HZ TRP 64 6.777 4.018 -6.742 466 HH2 TRP 64 HH TRP 64 6.008 4.845 -8.910 467 H PHE 65 H PHE 65 4.569 3.992 -1.817 468 HA PHE 65 HA PHE 65 5.374 4.807 0.883 469 HB2 PHE 65 1HB PHE 65 4.237 2.871 1.749 470 HB3 PHE 65 2HB PHE 65 3.119 3.470 0.540 471 HD1 PHE 65 1HD PHE 65 5.930 1.055 0.933 472 HD2 PHE 65 2HD PHE 65 2.336 2.030 -1.102 473 HE1 PHE 65 1HE PHE 65 5.975 -1.176 -0.216 474 HE2 PHE 65 2HE PHE 65 2.382 -0.201 -2.251 475 HZ PHE 65 HZ PHE 65 4.201 -1.777 -1.795 476 HA PRO 66 HA PRO 66 9.031 2.790 -0.343 477 HB2 PRO 66 1HB PRO 66 10.416 3.006 2.003 478 HB3 PRO 66 2HB PRO 66 10.332 4.294 0.818 479 HG2 PRO 66 1HG PRO 66 8.939 4.072 3.416 480 HG3 PRO 66 2HG PRO 66 9.206 5.497 2.432 481 HD2 PRO 66 1HD PRO 66 6.761 4.018 2.682 482 HD3 PRO 66 2HD PRO 66 7.062 5.372 1.611 483 H GLU 67 H GLU 67 10.183 0.824 -0.231 484 HA GLU 67 HA GLU 67 8.526 -1.201 0.804 485 HB2 GLU 67 1HB GLU 67 10.567 -2.664 0.121 486 HB3 GLU 67 2HB GLU 67 9.709 -1.804 -1.142 487 HG2 GLU 67 1HG GLU 67 11.521 -0.514 -1.641 488 HG3 GLU 67 2HG GLU 67 11.816 -0.131 0.043 489 H ASP 68 H ASP 68 11.481 0.483 1.895 490 HA ASP 68 HA ASP 68 12.405 -1.240 3.751 491 HB2 ASP 68 1HB ASP 68 12.676 1.535 3.129 492 HB3 ASP 68 2HB ASP 68 12.361 1.464 4.851 493 H PHE 69 H PHE 69 9.447 0.711 3.729 494 HA PHE 69 HA PHE 69 8.980 0.123 6.554 495 HB2 PHE 69 1HB PHE 69 7.704 1.953 4.438 496 HB3 PHE 69 2HB PHE 69 7.024 1.773 6.043 497 HD1 PHE 69 1HD PHE 69 10.250 2.646 4.382 498 HD2 PHE 69 2HD PHE 69 7.671 3.255 7.696 499 HE1 PHE 69 1HE PHE 69 11.764 4.461 5.227 500 HE2 PHE 69 2HE PHE 69 9.185 5.070 8.541 501 HZ PHE 69 HZ PHE 69 11.214 5.651 7.297 502 H ALA 70 H ALA 70 8.802 -1.829 4.181 503 HA ALA 70 HA ALA 70 6.259 -2.924 4.967 504 HB1 ALA 70 1HB ALA 70 6.219 -3.062 2.125 505 HB2 ALA 70 2HB ALA 70 5.086 -2.200 3.194 506 HB3 ALA 70 3HB ALA 70 6.519 -1.361 2.553 507 H ARG 71 H ARG 71 5.977 -5.140 3.760 508 HA ARG 71 HA ARG 71 8.595 -6.205 3.124 509 HB2 ARG 71 1HB ARG 71 6.710 -7.130 5.306 510 HB3 ARG 71 2HB ARG 71 7.668 -8.337 4.470 511 HG2 ARG 71 1HG ARG 71 9.714 -6.787 4.960 512 HG3 ARG 71 2HG ARG 71 8.660 -5.961 6.092 513 HD2 ARG 71 1HD ARG 71 8.939 -8.984 6.210 514 HD3 ARG 71 2HD ARG 71 10.158 -7.963 6.946 515 HE ARG 71 HE ARG 71 7.400 -7.265 7.694 516 HH11 ARG 71 2HH2 ARG 71 10.237 -9.185 8.496 517 HH12 ARG 71 1HH2 ARG 71 9.793 -9.380 10.158 518 HH21 ARG 71 2HH1 ARG 71 6.813 -7.522 9.887 519 HH22 ARG 71 1HH1 ARG 71 7.833 -8.428 10.955 520 H PHE 72 H PHE 72 8.367 -7.012 1.059 521 HA PHE 72 HA PHE 72 5.984 -7.425 -0.218 522 HB2 PHE 72 1HB PHE 72 8.875 -8.222 -0.466 523 HB3 PHE 72 2HB PHE 72 7.776 -9.217 -1.398 524 HD1 PHE 72 1HD PHE 72 6.215 -8.052 -3.047 525 HD2 PHE 72 2HD PHE 72 9.533 -6.110 -1.250 526 HE1 PHE 72 1HE PHE 72 6.181 -6.316 -4.860 527 HE2 PHE 72 2HE PHE 72 9.498 -4.374 -3.063 528 HZ PHE 72 HZ PHE 72 7.823 -4.498 -4.846 529 H ILE 73 H ILE 73 4.369 -8.692 0.664 530 HA ILE 73 HA ILE 73 4.806 -11.006 2.131 531 HB ILE 73 HB ILE 73 2.402 -10.140 0.522 532 HG12 ILE 73 1HG1 ILE 73 2.891 -9.776 3.484 533 HG13 ILE 73 2HG1 ILE 73 3.328 -8.559 2.301 534 HG21 ILE 73 1HG2 ILE 73 2.757 -12.298 2.605 535 HG22 ILE 73 2HG2 ILE 73 1.176 -11.577 2.222 536 HG23 ILE 73 3HG2 ILE 73 2.092 -12.436 0.960 537 HD11 ILE 73 1HD1 ILE 73 0.997 -8.411 1.518 538 HD12 ILE 73 2HD1 ILE 73 0.525 -9.731 2.615 539 HD13 ILE 73 3HD1 ILE 73 1.058 -8.168 3.281 540 H SER 74 H SER 74 3.680 -10.714 -1.318 541 HA SER 74 HA SER 74 5.369 -12.911 -1.993 542 HB2 SER 74 1HB SER 74 3.603 -14.384 -2.826 543 HB3 SER 74 2HB SER 74 3.343 -14.071 -1.121 544 HG SER 74 HG SER 74 1.689 -13.539 -3.245 545 H GLY 75 H GLY 75 5.866 -12.897 -4.236 546 HA2 GLY 75 1HA GLY 75 4.247 -11.473 -6.123 547 HA3 GLY 75 2HA GLY 75 5.666 -10.562 -5.648 548 HA PRO 76 HA PRO 76 6.680 -14.142 -8.551 549 HB2 PRO 76 1HB PRO 76 5.757 -13.435 -11.024 550 HB3 PRO 76 2HB PRO 76 4.919 -14.561 -9.975 551 HG2 PRO 76 1HG PRO 76 4.250 -11.747 -10.584 552 HG3 PRO 76 2HG PRO 76 3.227 -12.995 -9.900 553 HD2 PRO 76 1HD PRO 76 4.475 -10.834 -8.487 554 HD3 PRO 76 2HD PRO 76 3.549 -12.147 -7.788 555 H SER 77 H SER 77 8.559 -12.883 -7.676 556 HA SER 77 HA SER 77 9.561 -11.154 -9.783 557 HB2 SER 77 1HB SER 77 9.512 -10.857 -7.008 558 HB3 SER 77 2HB SER 77 11.162 -11.366 -7.307 559 HG SER 77 HG SER 77 10.743 -9.574 -9.193 560 H SER 78 H SER 78 10.836 -13.626 -7.422 561 HA SER 78 HA SER 78 12.423 -15.101 -7.577 562 HB2 SER 78 1HB SER 78 10.803 -15.412 -9.966 563 HB3 SER 78 2HB SER 78 12.459 -15.849 -10.337 564 HG SER 78 HG SER 78 11.973 -17.718 -9.415 565 H GLY 79 H GLY 79 14.082 -13.429 -7.201 566 HA2 GLY 79 1HA GLY 79 16.064 -13.401 -9.294 567 HA3 GLY 79 2HA GLY 79 15.336 -11.834 -9.001 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -22.522 11.459 4.753 2 HA2 GLY 1 1HA GLY 1 -21.955 8.979 6.245 3 HA3 GLY 1 2HA GLY 1 -22.891 9.112 4.770 4 H SER 2 H SER 2 -21.846 8.284 3.020 5 HA SER 2 HA SER 2 -18.944 8.548 3.018 6 HB2 SER 2 1HB SER 2 -20.827 6.402 2.159 7 HB3 SER 2 2HB SER 2 -19.486 6.685 1.067 8 HG SER 2 HG SER 2 -19.297 5.132 3.064 9 H SER 3 H SER 3 -18.003 8.652 0.662 10 HA SER 3 HA SER 3 -19.666 10.552 -0.786 11 HB2 SER 3 1HB SER 3 -16.959 10.659 0.068 12 HB3 SER 3 2HB SER 3 -16.886 10.446 -1.670 13 HG SER 3 HG SER 3 -18.743 12.360 -0.660 14 H GLY 4 H GLY 4 -19.345 10.511 -3.259 15 HA2 GLY 4 1HA GLY 4 -19.983 7.987 -4.275 16 HA3 GLY 4 2HA GLY 4 -19.529 9.402 -5.203 17 H SER 5 H SER 5 -17.170 9.875 -5.502 18 HA SER 5 HA SER 5 -15.154 9.303 -6.063 19 HB2 SER 5 1HB SER 5 -15.621 7.573 -3.677 20 HB3 SER 5 2HB SER 5 -14.293 7.076 -4.707 21 HG SER 5 HG SER 5 -14.139 8.897 -2.851 22 H SER 6 H SER 6 -13.750 7.331 -6.992 23 HA SER 6 HA SER 6 -13.548 5.803 -8.518 24 HB2 SER 6 1HB SER 6 -16.090 4.715 -7.242 25 HB3 SER 6 2HB SER 6 -15.221 3.854 -8.498 26 HG SER 6 HG SER 6 -14.710 3.881 -5.847 27 H GLY 7 H GLY 7 -14.453 4.953 -10.654 28 HA2 GLY 7 1HA GLY 7 -16.864 6.323 -11.581 29 HA3 GLY 7 2HA GLY 7 -15.351 6.747 -12.356 30 H TRP 8 H TRP 8 -13.934 4.715 -13.017 31 HA TRP 8 HA TRP 8 -15.595 3.162 -14.744 32 HB2 TRP 8 1HB TRP 8 -12.713 3.664 -14.355 33 HB3 TRP 8 2HB TRP 8 -13.115 2.064 -14.947 34 HD1 TRP 8 HD TRP 8 -13.407 1.923 -17.543 35 HE1 TRP 8 1HE TRP 8 -13.794 3.558 -19.578 36 HE3 TRP 8 3HE TRP 8 -14.002 6.119 -14.734 37 HZ2 TRP 8 2HZ TRP 8 -14.293 6.361 -19.779 38 HZ3 TRP 8 3HZ TRP 8 -14.436 8.264 -15.928 39 HH2 TRP 8 HH TRP 8 -14.585 8.427 -18.362 40 H GLN 9 H GLN 9 -16.957 1.888 -13.392 41 HA GLN 9 HA GLN 9 -16.015 0.499 -11.189 42 HB2 GLN 9 1HB GLN 9 -18.429 0.057 -12.992 43 HB3 GLN 9 2HB GLN 9 -18.157 -0.873 -11.532 44 HG2 GLN 9 1HG GLN 9 -18.118 1.231 -10.187 45 HG3 GLN 9 2HG GLN 9 -18.360 2.175 -11.644 46 HE21 GLN 9 1HE2 GLN 9 -20.264 1.442 -13.018 47 HE22 GLN 9 2HE2 GLN 9 -21.752 1.113 -12.194 48 H GLY 10 H GLY 10 -16.664 -0.601 -14.592 49 HA2 GLY 10 1HA GLY 10 -15.370 -3.155 -14.032 50 HA3 GLY 10 2HA GLY 10 -16.226 -2.685 -15.487 51 H LEU 11 H LEU 11 -13.146 -3.091 -14.017 52 HA LEU 11 HA LEU 11 -11.904 -1.840 -16.356 53 HB2 LEU 11 1HB LEU 11 -11.815 -0.618 -13.975 54 HB3 LEU 11 2HB LEU 11 -10.464 -1.712 -13.761 55 HG LEU 11 HG LEU 11 -9.601 -0.802 -16.019 56 HD11 LEU 11 1HD1 LEU 11 -11.112 1.695 -15.417 57 HD12 LEU 11 2HD1 LEU 11 -10.473 1.077 -16.959 58 HD13 LEU 11 3HD1 LEU 11 -11.966 0.390 -16.275 59 HD21 LEU 11 1HD2 LEU 11 -9.396 1.469 -14.199 60 HD22 LEU 11 2HD2 LEU 11 -9.149 -0.093 -13.380 61 HD23 LEU 11 3HD2 LEU 11 -8.145 0.346 -14.783 62 H SER 12 H SER 12 -9.939 -2.875 -17.064 63 HA SER 12 HA SER 12 -9.552 -5.478 -15.811 64 HB2 SER 12 1HB SER 12 -9.225 -6.484 -18.025 65 HB3 SER 12 2HB SER 12 -10.804 -5.728 -17.942 66 HG SER 12 HG SER 12 -9.689 -3.786 -18.952 67 H SER 13 H SER 13 -7.644 -4.950 -14.693 68 HA SER 13 HA SER 13 -5.312 -4.857 -16.230 69 HB2 SER 13 1HB SER 13 -6.403 -2.265 -15.208 70 HB3 SER 13 2HB SER 13 -4.692 -2.531 -14.938 71 HG SER 13 HG SER 13 -6.117 -2.218 -17.382 72 H LYS 14 H LYS 14 -6.538 -3.552 -13.051 73 HA LYS 14 HA LYS 14 -4.362 -4.881 -11.693 74 HB2 LYS 14 1HB LYS 14 -5.099 -3.670 -9.748 75 HB3 LYS 14 2HB LYS 14 -5.031 -2.572 -11.112 76 HG2 LYS 14 1HG LYS 14 -7.191 -2.019 -10.711 77 HG3 LYS 14 2HG LYS 14 -7.655 -3.640 -11.188 78 HD2 LYS 14 1HD LYS 14 -8.337 -4.031 -9.063 79 HD3 LYS 14 2HD LYS 14 -6.671 -3.904 -8.534 80 HE2 LYS 14 1HE LYS 14 -8.042 -1.293 -9.017 81 HE3 LYS 14 2HE LYS 14 -8.692 -2.234 -7.690 82 HZ1 LYS 14 1HZ LYS 14 -6.444 -0.711 -7.640 83 HZ2 LYS 14 2HZ LYS 14 -6.919 -1.770 -6.490 84 HZ3 LYS 14 3HZ LYS 14 -5.874 -2.241 -7.654 85 H GLY 15 H GLY 15 -4.599 -6.553 -10.135 86 HA2 GLY 15 1HA GLY 15 -7.202 -7.710 -9.670 87 HA3 GLY 15 2HA GLY 15 -6.181 -8.663 -10.727 88 H ASP 16 H ASP 16 -4.370 -9.780 -9.902 89 HA ASP 16 HA ASP 16 -4.391 -9.986 -7.040 90 HB2 ASP 16 1HB ASP 16 -3.226 -11.550 -9.342 91 HB3 ASP 16 2HB ASP 16 -2.470 -11.736 -7.772 92 H LEU 17 H LEU 17 -3.458 -7.459 -7.815 93 HA LEU 17 HA LEU 17 -0.775 -7.236 -8.427 94 HB2 LEU 17 1HB LEU 17 -2.811 -5.510 -7.095 95 HB3 LEU 17 2HB LEU 17 -1.129 -5.026 -7.014 96 HG LEU 17 HG LEU 17 -2.688 -5.536 -9.563 97 HD11 LEU 17 1HD1 LEU 17 -2.901 -3.227 -9.850 98 HD12 LEU 17 2HD1 LEU 17 -3.284 -3.488 -8.131 99 HD13 LEU 17 3HD1 LEU 17 -1.686 -2.860 -8.602 100 HD21 LEU 17 1HD2 LEU 17 -0.419 -6.061 -10.005 101 HD22 LEU 17 2HD2 LEU 17 -0.690 -4.417 -10.632 102 HD23 LEU 17 3HD2 LEU 17 0.164 -4.652 -9.088 103 HA PRO 18 HA PRO 18 1.328 -8.271 -4.805 104 HB2 PRO 18 1HB PRO 18 3.451 -6.551 -4.774 105 HB3 PRO 18 2HB PRO 18 3.388 -7.977 -5.790 106 HG2 PRO 18 1HG PRO 18 3.041 -5.143 -6.553 107 HG3 PRO 18 2HG PRO 18 3.402 -6.519 -7.576 108 HD2 PRO 18 1HD PRO 18 0.867 -5.207 -7.297 109 HD3 PRO 18 2HD PRO 18 1.202 -6.652 -8.230 110 H GLN 19 H GLN 19 1.228 -8.098 -2.622 111 HA GLN 19 HA GLN 19 0.510 -5.404 -1.762 112 HB2 GLN 19 1HB GLN 19 -0.538 -8.046 -0.653 113 HB3 GLN 19 2HB GLN 19 -0.933 -6.460 -0.021 114 HG2 GLN 19 1HG GLN 19 -2.045 -5.821 -2.096 115 HG3 GLN 19 2HG GLN 19 -1.457 -7.251 -2.921 116 HE21 GLN 19 1HE2 GLN 19 -3.191 -8.396 -3.377 117 HE22 GLN 19 2HE2 GLN 19 -4.408 -8.924 -2.263 118 H VAL 20 H VAL 20 1.599 -4.585 0.039 119 HA VAL 20 HA VAL 20 3.508 -6.438 1.290 120 HB VAL 20 HB VAL 20 5.049 -4.572 1.478 121 HG11 VAL 20 1HG1 VAL 20 4.532 -4.299 -1.392 122 HG12 VAL 20 2HG1 VAL 20 5.916 -5.024 -0.540 123 HG13 VAL 20 3HG1 VAL 20 4.447 -5.986 -0.830 124 HG21 VAL 20 1HG2 VAL 20 3.417 -2.858 -0.356 125 HG22 VAL 20 2HG2 VAL 20 3.000 -2.886 1.374 126 HG23 VAL 20 3HG2 VAL 20 4.633 -2.399 0.860 127 H GLU 21 H GLU 21 3.697 -6.355 3.542 128 HA GLU 21 HA GLU 21 1.542 -4.883 4.794 129 HB2 GLU 21 1HB GLU 21 1.451 -7.142 5.456 130 HB3 GLU 21 2HB GLU 21 3.194 -7.296 5.554 131 HG2 GLU 21 1HG GLU 21 3.219 -5.796 7.555 132 HG3 GLU 21 2HG GLU 21 1.477 -5.626 7.453 133 H ILE 22 H ILE 22 1.946 -2.989 5.848 134 HA ILE 22 HA ILE 22 4.586 -2.021 6.071 135 HB ILE 22 HB ILE 22 2.038 -0.999 7.329 136 HG12 ILE 22 1HG1 ILE 22 1.834 -1.318 4.884 137 HG13 ILE 22 2HG1 ILE 22 1.741 0.364 5.368 138 HG21 ILE 22 1HG2 ILE 22 3.406 0.448 8.329 139 HG22 ILE 22 2HG2 ILE 22 4.803 -0.065 7.354 140 HG23 ILE 22 3HG2 ILE 22 3.670 1.151 6.715 141 HD11 ILE 22 1HD1 ILE 22 3.214 -0.074 3.344 142 HD12 ILE 22 2HD1 ILE 22 4.029 0.785 4.672 143 HD13 ILE 22 3HD1 ILE 22 4.325 -0.952 4.422 144 H THR 23 H THR 23 6.060 -2.145 7.704 145 HA THR 23 HA THR 23 5.325 -3.808 9.973 146 HB THR 23 HB THR 23 7.687 -4.119 10.182 147 HG1 THR 23 1HG THR 23 7.751 -1.666 8.568 148 HG21 THR 23 1HG2 THR 23 7.757 -3.347 7.265 149 HG22 THR 23 2HG2 THR 23 8.393 -4.809 8.058 150 HG23 THR 23 3HG2 THR 23 6.647 -4.655 7.743 151 H LYS 24 H LYS 24 5.838 -0.428 9.157 152 HA LYS 24 HA LYS 24 5.070 0.254 11.852 153 HB2 LYS 24 1HB LYS 24 6.976 1.811 12.167 154 HB3 LYS 24 2HB LYS 24 7.443 0.123 12.183 155 HG2 LYS 24 1HG LYS 24 7.605 0.884 9.457 156 HG3 LYS 24 2HG LYS 24 8.258 2.251 10.338 157 HD2 LYS 24 1HD LYS 24 10.034 1.015 11.237 158 HD3 LYS 24 2HD LYS 24 9.157 -0.501 11.176 159 HE2 LYS 24 1HE LYS 24 9.274 -0.206 8.561 160 HE3 LYS 24 2HE LYS 24 10.530 0.968 8.898 161 HZ1 LYS 24 1HZ LYS 24 11.534 -0.861 10.301 162 HZ2 LYS 24 2HZ LYS 24 10.523 -1.885 9.529 163 HZ3 LYS 24 3HZ LYS 24 11.627 -1.033 8.680 164 H ALA 25 H ALA 25 4.055 2.301 11.964 165 HA ALA 25 HA ALA 25 2.710 3.127 9.733 166 HB1 ALA 25 1HB ALA 25 2.106 3.680 12.059 167 HB2 ALA 25 2HB ALA 25 3.525 4.748 12.181 168 HB3 ALA 25 3HB ALA 25 2.200 5.150 11.061 169 H PHE 26 H PHE 26 3.041 4.608 8.074 170 HA PHE 26 HA PHE 26 5.734 5.778 8.005 171 HB2 PHE 26 1HB PHE 26 5.602 4.145 6.249 172 HB3 PHE 26 2HB PHE 26 3.889 4.421 6.000 173 HD1 PHE 26 2HD PHE 26 7.055 6.404 5.778 174 HD2 PHE 26 1HD PHE 26 3.320 5.429 4.017 175 HE1 PHE 26 2HE PHE 26 7.580 7.904 3.835 176 HE2 PHE 26 1HE PHE 26 3.844 6.929 2.074 177 HZ PHE 26 HZ PHE 26 5.968 8.148 2.006 178 H PHE 27 H PHE 27 4.978 7.743 9.041 179 HA PHE 27 HA PHE 27 2.761 9.176 8.245 180 HB2 PHE 27 1HB PHE 27 5.544 9.981 9.278 181 HB3 PHE 27 2HB PHE 27 4.206 11.111 9.210 182 HD1 PHE 27 1HD PHE 27 2.238 10.789 10.678 183 HD2 PHE 27 2HD PHE 27 5.678 8.325 11.001 184 HE1 PHE 27 1HE PHE 27 1.483 10.033 12.950 185 HE2 PHE 27 2HE PHE 27 4.924 7.570 13.273 186 HZ PHE 27 HZ PHE 27 2.836 8.433 14.221 187 H ALA 28 H ALA 28 2.242 10.027 6.290 188 HA ALA 28 HA ALA 28 4.149 10.287 4.234 189 HB1 ALA 28 1HB ALA 28 1.888 9.837 3.642 190 HB2 ALA 28 2HB ALA 28 1.279 11.193 4.622 191 HB3 ALA 28 3HB ALA 28 2.184 11.514 3.124 192 H LYS 29 H LYS 29 5.379 12.014 3.557 193 HA LYS 29 HA LYS 29 5.153 14.422 5.218 194 HB2 LYS 29 1HB LYS 29 7.464 14.738 4.992 195 HB3 LYS 29 2HB LYS 29 7.281 13.019 5.280 196 HG2 LYS 29 1HG LYS 29 8.602 12.790 3.424 197 HG3 LYS 29 2HG LYS 29 7.114 13.062 2.539 198 HD2 LYS 29 1HD LYS 29 7.980 14.957 1.653 199 HD3 LYS 29 2HD LYS 29 8.117 15.650 3.257 200 HE2 LYS 29 1HE LYS 29 10.209 13.753 2.099 201 HE3 LYS 29 2HE LYS 29 10.303 15.493 1.911 202 HZ1 LYS 29 1HZ LYS 29 9.807 14.913 4.585 203 HZ2 LYS 29 2HZ LYS 29 11.062 13.990 4.096 204 HZ3 LYS 29 3HZ LYS 29 11.129 15.614 3.930 205 H GLN 30 H GLN 30 5.252 13.088 1.909 206 HA GLN 30 HA GLN 30 5.023 15.776 0.864 207 HB2 GLN 30 1HB GLN 30 5.773 13.098 -0.249 208 HB3 GLN 30 2HB GLN 30 4.965 14.195 -1.352 209 HG2 GLN 30 1HG GLN 30 6.933 15.723 0.097 210 HG3 GLN 30 2HG GLN 30 7.712 14.253 -0.455 211 HE21 GLN 30 1HE2 GLN 30 6.723 17.345 -1.255 212 HE22 GLN 30 2HE2 GLN 30 6.895 17.294 -2.977 213 H ALA 31 H ALA 31 3.462 15.447 -1.402 214 HA ALA 31 HA ALA 31 0.854 14.992 -0.184 215 HB1 ALA 31 1HB ALA 31 1.359 17.150 -1.316 216 HB2 ALA 31 2HB ALA 31 1.643 16.268 -2.835 217 HB3 ALA 31 3HB ALA 31 0.022 16.275 -2.100 218 H ASP 32 H ASP 32 3.200 13.321 -1.991 219 HA ASP 32 HA ASP 32 1.201 11.845 -3.472 220 HB2 ASP 32 1HB ASP 32 3.912 12.585 -3.944 221 HB3 ASP 32 2HB ASP 32 3.939 10.848 -3.717 222 H GLU 33 H GLU 33 2.984 11.841 -0.514 223 HA GLU 33 HA GLU 33 3.179 8.992 -0.324 224 HB2 GLU 33 1HB GLU 33 3.806 11.269 1.595 225 HB3 GLU 33 2HB GLU 33 3.959 9.587 2.059 226 HG2 GLU 33 1HG GLU 33 5.605 9.177 0.288 227 HG3 GLU 33 2HG GLU 33 5.346 10.773 -0.388 228 H VAL 34 H VAL 34 2.180 7.798 1.570 229 HA VAL 34 HA VAL 34 -0.334 9.035 2.424 230 HB VAL 34 HB VAL 34 -0.985 7.694 0.597 231 HG11 VAL 34 1HG1 VAL 34 0.505 5.314 1.736 232 HG12 VAL 34 2HG1 VAL 34 -0.268 5.472 0.140 233 HG13 VAL 34 3HG1 VAL 34 1.202 6.404 0.513 234 HG21 VAL 34 1HG2 VAL 34 -1.471 6.492 3.304 235 HG22 VAL 34 2HG2 VAL 34 -2.598 7.324 2.206 236 HG23 VAL 34 3HG2 VAL 34 -2.084 5.655 1.858 237 H THR 35 H THR 35 -0.847 8.670 4.567 238 HA THR 35 HA THR 35 1.232 7.583 6.197 239 HB THR 35 HB THR 35 -1.603 8.554 6.840 240 HG1 THR 35 1HG THR 35 -0.581 10.544 6.733 241 HG21 THR 35 1HG2 THR 35 0.127 7.259 8.569 242 HG22 THR 35 2HG2 THR 35 0.678 8.945 8.726 243 HG23 THR 35 3HG2 THR 35 -1.017 8.526 9.075 244 H LEU 36 H LEU 36 1.462 5.618 7.117 245 HA LEU 36 HA LEU 36 -0.806 3.782 6.802 246 HB2 LEU 36 1HB LEU 36 2.054 2.905 6.532 247 HB3 LEU 36 2HB LEU 36 0.593 2.044 6.094 248 HG LEU 36 HG LEU 36 1.331 4.601 4.686 249 HD11 LEU 36 1HD1 LEU 36 3.285 2.976 4.706 250 HD12 LEU 36 2HD1 LEU 36 2.259 1.886 3.743 251 HD13 LEU 36 3HD1 LEU 36 2.690 3.493 3.111 252 HD21 LEU 36 1HD2 LEU 36 0.187 3.149 2.804 253 HD22 LEU 36 2HD2 LEU 36 -0.506 2.292 4.201 254 HD23 LEU 36 3HD2 LEU 36 -0.781 4.039 4.003 255 H GLN 37 H GLN 37 -0.423 1.763 8.303 256 HA GLN 37 HA GLN 37 0.729 2.764 10.789 257 HB2 GLN 37 1HB GLN 37 -1.963 1.505 10.266 258 HB3 GLN 37 2HB GLN 37 -1.185 1.204 11.807 259 HG2 GLN 37 1HG GLN 37 -1.736 3.972 10.632 260 HG3 GLN 37 2HG GLN 37 -2.697 3.199 11.878 261 HE21 GLN 37 1HE2 GLN 37 -1.524 5.656 12.242 262 HE22 GLN 37 2HE2 GLN 37 -0.276 5.567 13.439 263 H GLN 38 H GLN 38 1.000 0.778 12.417 264 HA GLN 38 HA GLN 38 2.773 -0.960 11.147 265 HB2 GLN 38 1HB GLN 38 3.075 -0.302 13.481 266 HB3 GLN 38 2HB GLN 38 1.533 -1.002 13.931 267 HG2 GLN 38 1HG GLN 38 2.334 -3.263 13.415 268 HG3 GLN 38 2HG GLN 38 3.821 -2.632 12.736 269 HE21 GLN 38 1HE2 GLN 38 5.520 -2.298 13.994 270 HE22 GLN 38 2HE2 GLN 38 5.556 -2.410 15.722 271 H ALA 39 H ALA 39 2.494 -2.974 10.239 272 HA ALA 39 HA ALA 39 1.519 -4.849 9.580 273 HB1 ALA 39 1HB ALA 39 0.519 -4.438 12.275 274 HB2 ALA 39 2HB ALA 39 -0.718 -5.226 11.267 275 HB3 ALA 39 3HB ALA 39 0.896 -5.960 11.432 276 H ASP 40 H ASP 40 0.947 -2.606 8.135 277 HA ASP 40 HA ASP 40 -1.932 -2.794 7.728 278 HB2 ASP 40 1HB ASP 40 0.097 -0.589 7.296 279 HB3 ASP 40 2HB ASP 40 -1.354 -0.606 6.313 280 H VAL 41 H VAL 41 -2.633 -3.551 5.689 281 HA VAL 41 HA VAL 41 -0.530 -4.376 3.857 282 HB VAL 41 HB VAL 41 -3.490 -4.990 3.977 283 HG11 VAL 41 1HG1 VAL 41 -1.989 -5.120 1.729 284 HG12 VAL 41 2HG1 VAL 41 -1.640 -6.721 2.426 285 HG13 VAL 41 3HG1 VAL 41 -3.322 -6.243 2.092 286 HG21 VAL 41 1HG2 VAL 41 -1.144 -6.786 4.668 287 HG22 VAL 41 2HG2 VAL 41 -2.094 -5.877 5.868 288 HG23 VAL 41 3HG2 VAL 41 -2.878 -7.131 4.878 289 H VAL 42 H VAL 42 -0.327 -3.618 1.743 290 HA VAL 42 HA VAL 42 -2.263 -1.594 0.905 291 HB VAL 42 HB VAL 42 0.734 -1.269 1.090 292 HG11 VAL 42 1HG1 VAL 42 0.493 0.847 -0.099 293 HG12 VAL 42 2HG1 VAL 42 -0.069 -0.500 -1.118 294 HG13 VAL 42 3HG1 VAL 42 -1.251 0.557 -0.308 295 HG21 VAL 42 1HG2 VAL 42 -0.805 0.969 2.031 296 HG22 VAL 42 2HG2 VAL 42 -1.407 -0.520 2.797 297 HG23 VAL 42 3HG2 VAL 42 0.313 -0.084 2.930 298 H LEU 43 H LEU 43 -2.777 -1.718 -1.259 299 HA LEU 43 HA LEU 43 -1.586 -3.946 -2.679 300 HB2 LEU 43 1HB LEU 43 -4.048 -3.614 -2.485 301 HB3 LEU 43 2HB LEU 43 -3.895 -2.155 -3.444 302 HG LEU 43 HG LEU 43 -2.716 -3.829 -5.154 303 HD11 LEU 43 1HD1 LEU 43 -4.182 -5.975 -5.074 304 HD12 LEU 43 2HD1 LEU 43 -2.728 -5.864 -4.054 305 HD13 LEU 43 3HD1 LEU 43 -4.337 -5.594 -3.342 306 HD21 LEU 43 1HD2 LEU 43 -4.428 -3.017 -6.307 307 HD22 LEU 43 2HD2 LEU 43 -5.449 -4.307 -5.627 308 HD23 LEU 43 3HD2 LEU 43 -5.356 -2.725 -4.816 309 H VAL 44 H VAL 44 0.278 -3.581 -3.756 310 HA VAL 44 HA VAL 44 1.186 -1.037 -4.440 311 HB VAL 44 HB VAL 44 1.915 -3.788 -5.458 312 HG11 VAL 44 1HG1 VAL 44 2.559 -1.572 -6.811 313 HG12 VAL 44 2HG1 VAL 44 3.851 -1.520 -5.588 314 HG13 VAL 44 3HG1 VAL 44 3.679 -2.945 -6.640 315 HG21 VAL 44 1HG2 VAL 44 3.964 -3.162 -3.901 316 HG22 VAL 44 2HG2 VAL 44 2.758 -2.110 -3.122 317 HG23 VAL 44 3HG2 VAL 44 2.473 -3.863 -3.226 318 H LEU 45 H LEU 45 1.112 0.185 -6.334 319 HA LEU 45 HA LEU 45 -0.675 -0.887 -8.405 320 HB2 LEU 45 1HB LEU 45 -0.515 1.863 -7.193 321 HB3 LEU 45 2HB LEU 45 -1.219 1.589 -8.775 322 HG LEU 45 HG LEU 45 -2.196 0.040 -6.384 323 HD11 LEU 45 1HD1 LEU 45 -2.474 2.921 -6.846 324 HD12 LEU 45 2HD1 LEU 45 -4.028 2.073 -6.662 325 HD13 LEU 45 3HD1 LEU 45 -2.791 1.950 -5.388 326 HD21 LEU 45 1HD2 LEU 45 -4.361 0.314 -7.817 327 HD22 LEU 45 2HD2 LEU 45 -3.219 0.686 -9.131 328 HD23 LEU 45 3HD2 LEU 45 -3.125 -0.878 -8.286 329 H GLN 46 H GLN 46 2.178 1.135 -7.572 330 HA GLN 46 HA GLN 46 3.199 0.493 -10.200 331 HB2 GLN 46 1HB GLN 46 2.343 3.159 -9.355 332 HB3 GLN 46 2HB GLN 46 4.051 3.154 -9.750 333 HG2 GLN 46 1HG GLN 46 3.673 2.777 -11.985 334 HG3 GLN 46 2HG GLN 46 2.378 1.637 -11.681 335 HE21 GLN 46 1HE2 GLN 46 0.274 2.362 -11.311 336 HE22 GLN 46 2HE2 GLN 46 -0.271 3.934 -11.794 337 H GLN 47 H GLN 47 5.241 -0.322 -9.989 338 HA GLN 47 HA GLN 47 6.569 0.215 -7.466 339 HB2 GLN 47 1HB GLN 47 6.573 -2.043 -9.432 340 HB3 GLN 47 2HB GLN 47 8.089 -1.734 -8.609 341 HG2 GLN 47 1HG GLN 47 6.418 -1.595 -6.466 342 HG3 GLN 47 2HG GLN 47 5.465 -2.662 -7.479 343 HE21 GLN 47 1HE2 GLN 47 8.940 -2.193 -6.827 344 HE22 GLN 47 2HE2 GLN 47 9.317 -3.842 -6.454 345 H GLU 48 H GLU 48 8.039 1.857 -7.477 346 HA GLU 48 HA GLU 48 9.578 2.171 -9.936 347 HB2 GLU 48 1HB GLU 48 7.837 4.028 -9.021 348 HB3 GLU 48 2HB GLU 48 9.234 4.501 -8.075 349 HG2 GLU 48 1HG GLU 48 9.458 5.772 -10.065 350 HG3 GLU 48 2HG GLU 48 10.567 4.437 -10.306 351 H ASP 49 H ASP 49 11.681 1.581 -9.653 352 HA ASP 49 HA ASP 49 12.841 0.713 -7.476 353 HB2 ASP 49 1HB ASP 49 13.711 1.555 -10.002 354 HB3 ASP 49 2HB ASP 49 14.679 2.534 -8.918 355 H GLY 50 H GLY 50 12.642 1.691 -5.428 356 HA2 GLY 50 1HA GLY 50 14.000 3.335 -4.127 357 HA3 GLY 50 2HA GLY 50 13.380 4.549 -5.229 358 H TRP 51 H TRP 51 10.676 3.569 -5.535 359 HA TRP 51 HA TRP 51 9.642 3.548 -2.807 360 HB2 TRP 51 1HB TRP 51 9.017 5.646 -4.882 361 HB3 TRP 51 2HB TRP 51 7.950 5.296 -3.537 362 HD1 TRP 51 HD TRP 51 11.634 6.474 -4.073 363 HE1 TRP 51 1HE TRP 51 12.406 8.033 -2.089 364 HE3 TRP 51 3HE TRP 51 7.388 5.961 -1.323 365 HZ2 TRP 51 2HZ TRP 51 11.181 8.858 0.354 366 HZ3 TRP 51 3HZ TRP 51 7.257 7.176 0.850 367 HH2 TRP 51 HH TRP 51 9.065 8.586 1.698 368 H LEU 52 H LEU 52 7.500 2.599 -2.706 369 HA LEU 52 HA LEU 52 6.715 1.302 -5.224 370 HB2 LEU 52 1HB LEU 52 6.216 0.074 -2.537 371 HB3 LEU 52 2HB LEU 52 6.248 -0.682 -4.118 372 HG LEU 52 HG LEU 52 8.164 -1.346 -2.757 373 HD11 LEU 52 1HD1 LEU 52 10.001 -0.527 -4.398 374 HD12 LEU 52 2HD1 LEU 52 8.661 -1.524 -5.013 375 HD13 LEU 52 3HD1 LEU 52 8.648 0.238 -5.266 376 HD21 LEU 52 1HD2 LEU 52 9.620 0.047 -1.707 377 HD22 LEU 52 2HD2 LEU 52 9.434 1.343 -2.912 378 HD23 LEU 52 3HD2 LEU 52 8.178 1.091 -1.677 379 H TYR 53 H TYR 53 4.862 2.166 -5.973 380 HA TYR 53 HA TYR 53 3.126 3.564 -4.135 381 HB2 TYR 53 1HB TYR 53 3.847 4.256 -6.530 382 HB3 TYR 53 2HB TYR 53 2.935 2.887 -7.136 383 HD1 TYR 53 2HD TYR 53 2.334 5.759 -4.780 384 HD2 TYR 53 1HD TYR 53 0.861 3.391 -8.025 385 HE1 TYR 53 2HE TYR 53 0.238 7.194 -4.885 386 HE2 TYR 53 1HE TYR 53 -1.230 4.834 -8.119 387 HH TYR 53 HH TYR 53 -1.471 7.778 -6.310 388 H GLY 54 H GLY 54 0.969 3.026 -3.644 389 HA2 GLY 54 1HA GLY 54 -0.317 0.760 -4.830 390 HA3 GLY 54 2HA GLY 54 0.319 0.396 -3.238 391 H GLU 55 H GLU 55 -2.212 0.115 -3.040 392 HA GLU 55 HA GLU 55 -3.191 2.665 -2.030 393 HB2 GLU 55 1HB GLU 55 -4.377 2.249 -4.117 394 HB3 GLU 55 2HB GLU 55 -4.732 0.597 -3.652 395 HG2 GLU 55 1HG GLU 55 -5.668 2.417 -1.576 396 HG3 GLU 55 2HG GLU 55 -6.300 2.925 -3.130 397 H ARG 56 H ARG 56 -3.687 2.564 0.120 398 HA ARG 56 HA ARG 56 -3.364 0.207 1.513 399 HB2 ARG 56 1HB ARG 56 -3.362 2.771 2.256 400 HB3 ARG 56 2HB ARG 56 -5.054 2.478 2.604 401 HG2 ARG 56 1HG ARG 56 -4.538 0.758 4.212 402 HG3 ARG 56 2HG ARG 56 -2.879 0.631 3.664 403 HD2 ARG 56 1HD ARG 56 -3.014 1.895 5.800 404 HD3 ARG 56 2HD ARG 56 -2.384 2.906 4.515 405 HE ARG 56 HE ARG 56 -5.083 3.417 4.376 406 HH11 ARG 56 2HH2 ARG 56 -2.786 3.438 7.042 407 HH12 ARG 56 1HH2 ARG 56 -3.637 4.655 7.934 408 HH21 ARG 56 2HH1 ARG 56 -6.206 5.023 5.553 409 HH22 ARG 56 1HH1 ARG 56 -5.595 5.563 7.081 410 H LEU 57 H LEU 57 -4.732 -1.543 1.667 411 HA LEU 57 HA LEU 57 -7.352 -1.421 0.618 412 HB2 LEU 57 1HB LEU 57 -6.159 -3.584 2.347 413 HB3 LEU 57 2HB LEU 57 -7.490 -3.728 1.216 414 HG LEU 57 HG LEU 57 -4.817 -2.862 0.174 415 HD11 LEU 57 1HD1 LEU 57 -4.812 -5.622 -0.145 416 HD12 LEU 57 2HD1 LEU 57 -3.781 -4.671 0.951 417 HD13 LEU 57 3HD1 LEU 57 -5.300 -5.380 1.550 418 HD21 LEU 57 1HD2 LEU 57 -5.868 -4.662 -1.584 419 HD22 LEU 57 2HD2 LEU 57 -7.342 -3.956 -0.879 420 HD23 LEU 57 3HD2 LEU 57 -6.129 -2.902 -1.645 421 H ARG 58 H ARG 58 -6.012 -0.359 3.566 422 HA ARG 58 HA ARG 58 -7.990 -1.114 5.336 423 HB2 ARG 58 1HB ARG 58 -5.861 -0.185 6.114 424 HB3 ARG 58 2HB ARG 58 -6.148 1.324 5.270 425 HG2 ARG 58 1HG ARG 58 -8.171 1.718 6.729 426 HG3 ARG 58 2HG ARG 58 -7.799 0.247 7.605 427 HD2 ARG 58 1HD ARG 58 -6.249 1.319 8.878 428 HD3 ARG 58 2HD ARG 58 -5.406 1.899 7.456 429 HE ARG 58 HE ARG 58 -7.717 3.496 7.673 430 HH11 ARG 58 2HH2 ARG 58 -4.865 2.820 9.621 431 HH12 ARG 58 1HH2 ARG 58 -4.860 4.376 10.382 432 HH21 ARG 58 2HH1 ARG 58 -7.710 5.549 8.677 433 HH22 ARG 58 1HH1 ARG 58 -6.489 5.938 9.842 434 H ASP 59 H ASP 59 -7.476 2.151 3.787 435 HA ASP 59 HA ASP 59 -10.354 2.530 4.041 436 HB2 ASP 59 1HB ASP 59 -8.501 4.114 5.135 437 HB3 ASP 59 2HB ASP 59 -8.397 4.780 3.517 438 H GLY 60 H GLY 60 -7.516 2.378 1.941 439 HA2 GLY 60 1HA GLY 60 -7.869 1.832 -0.365 440 HA3 GLY 60 2HA GLY 60 -9.232 2.933 -0.399 441 H GLU 61 H GLU 61 -6.692 4.193 1.549 442 HA GLU 61 HA GLU 61 -6.302 6.347 -0.136 443 HB2 GLU 61 1HB GLU 61 -5.408 5.460 2.469 444 HB3 GLU 61 2HB GLU 61 -4.028 6.088 1.590 445 HG2 GLU 61 1HG GLU 61 -5.605 8.100 0.977 446 HG3 GLU 61 2HG GLU 61 -6.620 7.515 2.281 447 H THR 62 H THR 62 -5.000 6.675 -1.899 448 HA THR 62 HA THR 62 -2.985 4.595 -2.438 449 HB THR 62 HB THR 62 -4.093 6.413 -4.575 450 HG1 THR 62 1HG THR 62 -6.112 5.612 -4.154 451 HG21 THR 62 1HG2 THR 62 -4.343 3.803 -5.418 452 HG22 THR 62 2HG2 THR 62 -2.876 4.778 -5.678 453 HG23 THR 62 3HG2 THR 62 -2.966 3.653 -4.301 454 H GLY 63 H GLY 63 -0.994 5.215 -1.880 455 HA2 GLY 63 1HA GLY 63 -0.093 7.841 -2.817 456 HA3 GLY 63 2HA GLY 63 0.037 7.488 -1.105 457 H TRP 64 H TRP 64 2.428 7.927 -1.916 458 HA TRP 64 HA TRP 64 3.591 5.527 -3.086 459 HB2 TRP 64 1HB TRP 64 4.601 8.312 -2.556 460 HB3 TRP 64 2HB TRP 64 5.697 6.996 -2.929 461 HD1 TRP 64 HD TRP 64 3.114 9.270 -4.598 462 HE1 TRP 64 1HE TRP 64 3.134 9.006 -7.224 463 HE3 TRP 64 3HE TRP 64 6.181 5.216 -4.693 464 HZ2 TRP 64 2HZ TRP 64 4.402 7.173 -9.005 465 HZ3 TRP 64 3HZ TRP 64 6.761 4.250 -6.916 466 HH2 TRP 64 HH TRP 64 5.925 5.162 -9.024 467 H PHE 65 H PHE 65 4.589 3.988 -1.835 468 HA PHE 65 HA PHE 65 5.303 4.772 0.896 469 HB2 PHE 65 1HB PHE 65 4.181 2.809 1.719 470 HB3 PHE 65 2HB PHE 65 3.075 3.405 0.497 471 HD1 PHE 65 1HD PHE 65 5.894 1.012 0.944 472 HD2 PHE 65 2HD PHE 65 2.368 1.988 -1.206 473 HE1 PHE 65 1HE PHE 65 5.995 -1.205 -0.229 474 HE2 PHE 65 2HE PHE 65 2.469 -0.228 -2.379 475 HZ PHE 65 HZ PHE 65 4.282 -1.798 -1.877 476 HA PRO 66 HA PRO 66 9.012 2.827 -0.299 477 HB2 PRO 66 1HB PRO 66 10.363 3.054 2.066 478 HB3 PRO 66 2HB PRO 66 10.272 4.346 0.886 479 HG2 PRO 66 1HG PRO 66 8.850 4.088 3.464 480 HG3 PRO 66 2HG PRO 66 9.106 5.522 2.491 481 HD2 PRO 66 1HD PRO 66 6.683 4.002 2.702 482 HD3 PRO 66 2HD PRO 66 6.975 5.366 1.642 483 H GLU 67 H GLU 67 10.227 0.890 -0.146 484 HA GLU 67 HA GLU 67 8.581 -1.175 0.834 485 HB2 GLU 67 1HB GLU 67 10.690 -2.583 0.206 486 HB3 GLU 67 2HB GLU 67 9.814 -1.768 -1.075 487 HG2 GLU 67 1HG GLU 67 11.557 -0.361 -1.540 488 HG3 GLU 67 2HG GLU 67 11.877 -0.044 0.154 489 H ASP 68 H ASP 68 11.485 0.557 1.995 490 HA ASP 68 HA ASP 68 12.365 -1.171 3.883 491 HB2 ASP 68 1HB ASP 68 12.388 1.776 3.478 492 HB3 ASP 68 2HB ASP 68 12.615 1.293 5.147 493 H PHE 69 H PHE 69 9.361 0.625 3.704 494 HA PHE 69 HA PHE 69 8.840 0.102 6.543 495 HB2 PHE 69 1HB PHE 69 7.670 2.018 4.441 496 HB3 PHE 69 2HB PHE 69 6.963 1.833 6.034 497 HD1 PHE 69 1HD PHE 69 10.187 2.697 4.378 498 HD2 PHE 69 2HD PHE 69 7.690 3.189 7.773 499 HE1 PHE 69 1HE PHE 69 11.751 4.443 5.275 500 HE2 PHE 69 2HE PHE 69 9.254 4.935 8.671 501 HZ PHE 69 HZ PHE 69 11.266 5.542 7.411 502 H ALA 70 H ALA 70 8.701 -1.894 4.302 503 HA ALA 70 HA ALA 70 6.109 -2.899 4.940 504 HB1 ALA 70 1HB ALA 70 6.256 -1.177 2.722 505 HB2 ALA 70 2HB ALA 70 6.270 -2.817 2.029 506 HB3 ALA 70 3HB ALA 70 4.943 -2.316 3.105 507 H ARG 71 H ARG 71 5.816 -5.119 3.951 508 HA ARG 71 HA ARG 71 8.394 -6.206 3.167 509 HB2 ARG 71 1HB ARG 71 6.614 -7.003 5.451 510 HB3 ARG 71 2HB ARG 71 7.313 -8.323 4.535 511 HG2 ARG 71 1HG ARG 71 9.573 -6.951 4.802 512 HG3 ARG 71 2HG ARG 71 8.730 -6.166 6.122 513 HD2 ARG 71 1HD ARG 71 9.569 -7.934 7.341 514 HD3 ARG 71 2HD ARG 71 8.146 -8.757 6.735 515 HE ARG 71 HE ARG 71 10.081 -9.107 4.737 516 HH11 ARG 71 2HH2 ARG 71 9.808 -9.884 8.158 517 HH12 ARG 71 1HH2 ARG 71 10.830 -11.279 8.053 518 HH21 ARG 71 2HH1 ARG 71 11.429 -10.947 4.598 519 HH22 ARG 71 1HH1 ARG 71 11.758 -11.888 6.015 520 H PHE 72 H PHE 72 8.128 -7.036 1.118 521 HA PHE 72 HA PHE 72 5.700 -7.407 -0.111 522 HB2 PHE 72 1HB PHE 72 8.580 -8.245 -0.435 523 HB3 PHE 72 2HB PHE 72 7.433 -9.180 -1.374 524 HD1 PHE 72 1HD PHE 72 6.161 -8.142 -3.179 525 HD2 PHE 72 2HD PHE 72 8.989 -5.908 -0.939 526 HE1 PHE 72 1HE PHE 72 6.136 -6.349 -4.936 527 HE2 PHE 72 2HE PHE 72 8.964 -4.115 -2.695 528 HZ PHE 72 HZ PHE 72 7.538 -4.357 -4.672 529 H ILE 73 H ILE 73 4.111 -8.668 0.833 530 HA ILE 73 HA ILE 73 4.603 -11.017 2.240 531 HB ILE 73 HB ILE 73 2.123 -10.075 0.796 532 HG12 ILE 73 1HG1 ILE 73 3.131 -9.646 3.619 533 HG13 ILE 73 2HG1 ILE 73 2.843 -8.428 2.393 534 HG21 ILE 73 1HG2 ILE 73 2.340 -12.578 1.466 535 HG22 ILE 73 2HG2 ILE 73 2.128 -11.972 3.126 536 HG23 ILE 73 3HG2 ILE 73 0.870 -11.674 1.903 537 HD11 ILE 73 1HD1 ILE 73 0.634 -10.256 3.426 538 HD12 ILE 73 2HD1 ILE 73 1.005 -8.675 4.155 539 HD13 ILE 73 3HD1 ILE 73 0.455 -8.769 2.464 540 H SER 74 H SER 74 3.571 -10.502 -1.201 541 HA SER 74 HA SER 74 5.022 -12.851 -1.909 542 HB2 SER 74 1HB SER 74 2.244 -13.102 -1.322 543 HB3 SER 74 2HB SER 74 2.369 -13.153 -3.070 544 HG SER 74 HG SER 74 3.526 -14.913 -1.121 545 H GLY 75 H GLY 75 5.829 -12.604 -3.994 546 HA2 GLY 75 1HA GLY 75 4.524 -11.404 -6.133 547 HA3 GLY 75 2HA GLY 75 5.430 -10.137 -5.330 548 HA PRO 76 HA PRO 76 8.575 -11.852 -7.937 549 HB2 PRO 76 1HB PRO 76 10.098 -9.590 -8.114 550 HB3 PRO 76 2HB PRO 76 8.784 -9.949 -9.216 551 HG2 PRO 76 1HG PRO 76 8.857 -8.005 -6.991 552 HG3 PRO 76 2HG PRO 76 7.746 -8.083 -8.343 553 HD2 PRO 76 1HD PRO 76 7.223 -8.898 -5.643 554 HD3 PRO 76 2HD PRO 76 6.154 -9.083 -7.020 555 H SER 77 H SER 77 10.632 -12.735 -7.673 556 HA SER 77 HA SER 77 12.315 -13.464 -6.515 557 HB2 SER 77 1HB SER 77 12.985 -11.071 -6.398 558 HB3 SER 77 2HB SER 77 12.057 -10.872 -4.925 559 HG SER 77 HG SER 77 13.555 -11.952 -3.762 560 H SER 78 H SER 78 11.325 -15.297 -5.576 561 HA SER 78 HA SER 78 9.519 -15.232 -3.530 562 HB2 SER 78 1HB SER 78 11.593 -17.370 -4.189 563 HB3 SER 78 2HB SER 78 10.216 -17.623 -3.135 564 HG SER 78 HG SER 78 8.944 -16.776 -5.132 565 H GLY 79 H GLY 79 9.661 -14.805 -1.347 566 HA2 GLY 79 1HA GLY 79 12.250 -14.122 -0.247 567 HA3 GLY 79 2HA GLY 79 10.678 -13.935 0.505 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -11.598 -1.750 12.582 2 HA2 GLY 1 1HA GLY 1 -13.925 -3.281 11.607 3 HA3 GLY 1 2HA GLY 1 -14.132 -1.938 12.713 4 H SER 2 H SER 2 -15.240 -2.064 10.041 5 HA SER 2 HA SER 2 -13.551 -0.198 8.598 6 HB2 SER 2 1HB SER 2 -14.772 -0.783 6.633 7 HB3 SER 2 2HB SER 2 -14.517 -2.293 7.485 8 HG SER 2 HG SER 2 -16.636 -2.535 7.414 9 H SER 3 H SER 3 -14.898 1.586 7.353 10 HA SER 3 HA SER 3 -17.092 2.471 9.039 11 HB2 SER 3 1HB SER 3 -14.552 3.610 9.168 12 HB3 SER 3 2HB SER 3 -15.377 4.665 8.039 13 HG SER 3 HG SER 3 -15.554 4.751 10.676 14 H GLY 4 H GLY 4 -15.133 3.366 6.096 15 HA2 GLY 4 1HA GLY 4 -17.226 4.620 4.718 16 HA3 GLY 4 2HA GLY 4 -15.753 3.973 4.024 17 H SER 5 H SER 5 -19.068 3.768 3.872 18 HA SER 5 HA SER 5 -18.883 1.278 2.486 19 HB2 SER 5 1HB SER 5 -19.517 0.987 5.095 20 HB3 SER 5 2HB SER 5 -21.117 1.376 4.495 21 HG SER 5 HG SER 5 -19.614 -0.573 3.054 22 H SER 6 H SER 6 -19.574 2.258 0.571 23 HA SER 6 HA SER 6 -22.330 2.949 0.483 24 HB2 SER 6 1HB SER 6 -20.265 5.051 0.580 25 HB3 SER 6 2HB SER 6 -21.267 5.171 -0.853 26 HG SER 6 HG SER 6 -23.073 5.535 0.362 27 H GLY 7 H GLY 7 -19.196 3.440 -1.315 28 HA2 GLY 7 1HA GLY 7 -20.358 1.890 -3.547 29 HA3 GLY 7 2HA GLY 7 -19.539 3.416 -3.818 30 H TRP 8 H TRP 8 -18.423 1.423 -5.185 31 HA TRP 8 HA TRP 8 -16.447 0.041 -3.612 32 HB2 TRP 8 1HB TRP 8 -17.505 -0.066 -6.347 33 HB3 TRP 8 2HB TRP 8 -15.774 -0.322 -6.249 34 HD1 TRP 8 HD TRP 8 -15.003 -2.726 -5.469 35 HE1 TRP 8 1HE TRP 8 -16.138 -4.950 -4.617 36 HE3 TRP 8 3HE TRP 8 -19.648 -0.747 -4.872 37 HZ2 TRP 8 2HZ TRP 8 -18.791 -5.618 -3.806 38 HZ3 TRP 8 3HZ TRP 8 -21.455 -2.253 -4.046 39 HH2 TRP 8 HH TRP 8 -21.086 -4.611 -3.519 40 H GLN 9 H GLN 9 -14.237 0.562 -3.500 41 HA GLN 9 HA GLN 9 -13.616 3.256 -3.853 42 HB2 GLN 9 1HB GLN 9 -12.547 1.136 -2.438 43 HB3 GLN 9 2HB GLN 9 -11.335 1.359 -3.684 44 HG2 GLN 9 1HG GLN 9 -10.638 2.813 -1.935 45 HG3 GLN 9 2HG GLN 9 -11.399 3.881 -3.098 46 HE21 GLN 9 1HE2 GLN 9 -12.398 5.421 -2.051 47 HE22 GLN 9 2HE2 GLN 9 -13.464 5.248 -0.697 48 H GLY 10 H GLY 10 -11.312 3.755 -5.045 49 HA2 GLY 10 1HA GLY 10 -11.835 3.647 -7.791 50 HA3 GLY 10 2HA GLY 10 -10.322 4.099 -7.032 51 H LEU 11 H LEU 11 -11.916 1.768 -8.971 52 HA LEU 11 HA LEU 11 -9.909 -0.271 -8.358 53 HB2 LEU 11 1HB LEU 11 -12.569 -0.358 -9.771 54 HB3 LEU 11 2HB LEU 11 -11.418 -1.677 -9.845 55 HG LEU 11 HG LEU 11 -12.200 -0.666 -7.142 56 HD11 LEU 11 1HD1 LEU 11 -14.086 -1.816 -9.103 57 HD12 LEU 11 2HD1 LEU 11 -14.085 -2.585 -7.498 58 HD13 LEU 11 3HD1 LEU 11 -14.385 -0.837 -7.647 59 HD21 LEU 11 1HD2 LEU 11 -12.262 -3.457 -7.245 60 HD22 LEU 11 2HD2 LEU 11 -10.908 -2.989 -8.301 61 HD23 LEU 11 3HD2 LEU 11 -10.954 -2.428 -6.612 62 H SER 12 H SER 12 -8.042 0.223 -9.431 63 HA SER 12 HA SER 12 -8.330 1.151 -12.162 64 HB2 SER 12 1HB SER 12 -6.327 1.487 -10.010 65 HB3 SER 12 2HB SER 12 -5.606 1.155 -11.572 66 HG SER 12 HG SER 12 -7.352 2.925 -12.246 67 H SER 13 H SER 13 -6.279 -1.170 -10.238 68 HA SER 13 HA SER 13 -6.730 -3.166 -12.220 69 HB2 SER 13 1HB SER 13 -3.955 -1.974 -11.814 70 HB3 SER 13 2HB SER 13 -4.220 -3.537 -12.562 71 HG SER 13 HG SER 13 -5.304 -2.569 -14.291 72 H LYS 14 H LYS 14 -6.916 -5.087 -11.114 73 HA LYS 14 HA LYS 14 -5.274 -5.432 -8.724 74 HB2 LYS 14 1HB LYS 14 -7.113 -6.092 -7.362 75 HB3 LYS 14 2HB LYS 14 -7.506 -4.528 -8.045 76 HG2 LYS 14 1HG LYS 14 -8.390 -6.723 -9.796 77 HG3 LYS 14 2HG LYS 14 -9.079 -6.863 -8.191 78 HD2 LYS 14 1HD LYS 14 -10.310 -4.906 -8.386 79 HD3 LYS 14 2HD LYS 14 -9.104 -4.114 -9.381 80 HE2 LYS 14 1HE LYS 14 -10.192 -6.414 -10.809 81 HE3 LYS 14 2HE LYS 14 -11.503 -5.394 -10.251 82 HZ1 LYS 14 1HZ LYS 14 -9.275 -3.989 -11.389 83 HZ2 LYS 14 2HZ LYS 14 -10.102 -4.927 -12.440 84 HZ3 LYS 14 3HZ LYS 14 -10.877 -3.755 -11.607 85 H GLY 15 H GLY 15 -5.028 -7.721 -8.110 86 HA2 GLY 15 1HA GLY 15 -6.075 -9.844 -9.598 87 HA3 GLY 15 2HA GLY 15 -4.569 -9.360 -10.354 88 H ASP 16 H ASP 16 -2.885 -10.613 -9.695 89 HA ASP 16 HA ASP 16 -3.019 -11.664 -6.998 90 HB2 ASP 16 1HB ASP 16 -1.644 -12.458 -9.558 91 HB3 ASP 16 2HB ASP 16 -0.855 -12.904 -8.059 92 H LEU 17 H LEU 17 -2.353 -8.840 -7.480 93 HA LEU 17 HA LEU 17 0.224 -8.143 -7.784 94 HB2 LEU 17 1HB LEU 17 -1.965 -7.119 -6.019 95 HB3 LEU 17 2HB LEU 17 -0.363 -6.420 -5.894 96 HG LEU 17 HG LEU 17 -2.070 -6.524 -8.396 97 HD11 LEU 17 1HD1 LEU 17 -1.758 -3.918 -7.971 98 HD12 LEU 17 2HD1 LEU 17 -3.083 -4.850 -7.233 99 HD13 LEU 17 3HD1 LEU 17 -1.627 -4.468 -6.283 100 HD21 LEU 17 1HD2 LEU 17 -0.119 -6.389 -9.479 101 HD22 LEU 17 2HD2 LEU 17 -0.066 -4.713 -8.881 102 HD23 LEU 17 3HD2 LEU 17 0.789 -6.000 -7.998 103 HA PRO 18 HA PRO 18 2.541 -9.788 -4.538 104 HB2 PRO 18 1HB PRO 18 4.430 -7.872 -4.064 105 HB3 PRO 18 2HB PRO 18 4.518 -8.992 -5.408 106 HG2 PRO 18 1HG PRO 18 3.794 -6.126 -5.429 107 HG3 PRO 18 2HG PRO 18 4.297 -7.141 -6.766 108 HD2 PRO 18 1HD PRO 18 1.625 -6.282 -6.174 109 HD3 PRO 18 2HD PRO 18 2.113 -7.389 -7.441 110 H GLN 19 H GLN 19 1.612 -6.460 -3.902 111 HA GLN 19 HA GLN 19 0.907 -5.481 -2.098 112 HB2 GLN 19 1HB GLN 19 -0.157 -8.224 -1.851 113 HB3 GLN 19 2HB GLN 19 -0.030 -7.407 -0.306 114 HG2 GLN 19 1HG GLN 19 -1.250 -5.422 -1.319 115 HG3 GLN 19 2HG GLN 19 -1.474 -6.358 -2.784 116 HE21 GLN 19 1HE2 GLN 19 -3.508 -6.927 -2.895 117 HE22 GLN 19 2HE2 GLN 19 -4.461 -7.656 -1.646 118 H VAL 20 H VAL 20 1.507 -4.886 0.115 119 HA VAL 20 HA VAL 20 3.622 -6.510 1.292 120 HB VAL 20 HB VAL 20 5.149 -4.713 1.453 121 HG11 VAL 20 1HG1 VAL 20 4.233 -4.315 -1.377 122 HG12 VAL 20 2HG1 VAL 20 5.871 -4.584 -0.734 123 HG13 VAL 20 3HG1 VAL 20 4.725 -5.941 -0.845 124 HG21 VAL 20 1HG2 VAL 20 4.745 -2.453 0.860 125 HG22 VAL 20 2HG2 VAL 20 3.220 -2.859 0.035 126 HG23 VAL 20 3HG2 VAL 20 3.328 -2.963 1.809 127 H GLU 21 H GLU 21 3.895 -6.125 3.582 128 HA GLU 21 HA GLU 21 1.561 -4.768 4.682 129 HB2 GLU 21 1HB GLU 21 1.695 -7.227 5.108 130 HB3 GLU 21 2HB GLU 21 3.242 -7.004 5.900 131 HG2 GLU 21 1HG GLU 21 2.255 -5.707 7.688 132 HG3 GLU 21 2HG GLU 21 0.744 -5.523 6.820 133 H ILE 22 H ILE 22 1.921 -2.904 5.808 134 HA ILE 22 HA ILE 22 4.545 -1.943 6.149 135 HB ILE 22 HB ILE 22 1.961 -0.959 7.364 136 HG12 ILE 22 1HG1 ILE 22 1.753 -1.191 4.938 137 HG13 ILE 22 2HG1 ILE 22 1.767 0.493 5.421 138 HG21 ILE 22 1HG2 ILE 22 3.605 1.207 6.835 139 HG22 ILE 22 2HG2 ILE 22 3.294 0.474 8.427 140 HG23 ILE 22 3HG2 ILE 22 4.720 -0.021 7.482 141 HD11 ILE 22 1HD1 ILE 22 3.211 0.030 3.416 142 HD12 ILE 22 2HD1 ILE 22 4.123 0.724 4.778 143 HD13 ILE 22 3HD1 ILE 22 4.229 -1.019 4.433 144 H THR 23 H THR 23 5.980 -2.148 7.802 145 HA THR 23 HA THR 23 5.151 -3.827 10.032 146 HB THR 23 HB THR 23 7.603 -3.994 10.387 147 HG1 THR 23 1HG THR 23 8.843 -2.689 8.690 148 HG21 THR 23 1HG2 THR 23 7.706 -4.016 7.429 149 HG22 THR 23 2HG2 THR 23 7.955 -5.357 8.572 150 HG23 THR 23 3HG2 THR 23 6.307 -4.909 8.071 151 H LYS 24 H LYS 24 5.729 -0.462 9.259 152 HA LYS 24 HA LYS 24 5.022 0.200 11.979 153 HB2 LYS 24 1HB LYS 24 6.932 1.700 12.316 154 HB3 LYS 24 2HB LYS 24 7.436 0.027 12.178 155 HG2 LYS 24 1HG LYS 24 7.509 0.885 9.524 156 HG3 LYS 24 2HG LYS 24 8.014 2.322 10.391 157 HD2 LYS 24 1HD LYS 24 9.841 1.144 11.470 158 HD3 LYS 24 2HD LYS 24 9.236 -0.415 10.945 159 HE2 LYS 24 1HE LYS 24 10.497 -0.247 9.069 160 HE3 LYS 24 2HE LYS 24 9.536 1.130 8.566 161 HZ1 LYS 24 1HZ LYS 24 11.257 2.055 10.488 162 HZ2 LYS 24 2HZ LYS 24 12.163 1.097 9.525 163 HZ3 LYS 24 3HZ LYS 24 11.327 2.343 8.882 164 H ALA 25 H ALA 25 4.121 2.326 12.155 165 HA ALA 25 HA ALA 25 2.714 3.157 9.922 166 HB1 ALA 25 1HB ALA 25 2.653 3.653 12.602 167 HB2 ALA 25 2HB ALA 25 3.325 5.189 12.004 168 HB3 ALA 25 3HB ALA 25 1.756 4.608 11.397 169 H PHE 26 H PHE 26 3.105 4.581 8.255 170 HA PHE 26 HA PHE 26 5.763 5.826 8.284 171 HB2 PHE 26 1HB PHE 26 5.560 4.127 6.533 172 HB3 PHE 26 2HB PHE 26 3.929 4.633 6.139 173 HD1 PHE 26 2HD PHE 26 7.100 6.577 6.483 174 HD2 PHE 26 1HD PHE 26 3.917 5.367 3.952 175 HE1 PHE 26 2HE PHE 26 7.997 8.044 4.654 176 HE2 PHE 26 1HE PHE 26 4.813 6.834 2.123 177 HZ PHE 26 HZ PHE 26 6.843 8.155 2.496 178 H PHE 27 H PHE 27 4.968 7.760 9.345 179 HA PHE 27 HA PHE 27 2.746 9.180 8.493 180 HB2 PHE 27 1HB PHE 27 5.447 9.952 9.740 181 HB3 PHE 27 2HB PHE 27 4.132 11.101 9.599 182 HD1 PHE 27 1HD PHE 27 2.097 10.833 10.948 183 HD2 PHE 27 2HD PHE 27 5.386 8.186 11.381 184 HE1 PHE 27 1HE PHE 27 1.163 10.030 13.134 185 HE2 PHE 27 2HE PHE 27 4.451 7.383 13.568 186 HZ PHE 27 HZ PHE 27 2.351 8.315 14.419 187 H ALA 28 H ALA 28 2.412 9.760 6.379 188 HA ALA 28 HA ALA 28 4.482 10.300 4.576 189 HB1 ALA 28 1HB ALA 28 1.500 10.827 4.645 190 HB2 ALA 28 2HB ALA 28 2.505 11.347 3.271 191 HB3 ALA 28 3HB ALA 28 2.398 9.621 3.693 192 H LYS 29 H LYS 29 5.588 12.154 4.040 193 HA LYS 29 HA LYS 29 4.899 14.516 5.639 194 HB2 LYS 29 1HB LYS 29 7.181 15.096 5.667 195 HB3 LYS 29 2HB LYS 29 7.135 13.378 6.005 196 HG2 LYS 29 1HG LYS 29 8.616 13.125 4.299 197 HG3 LYS 29 2HG LYS 29 7.278 13.441 3.214 198 HD2 LYS 29 1HD LYS 29 8.294 15.345 2.526 199 HD3 LYS 29 2HD LYS 29 8.159 15.996 4.147 200 HE2 LYS 29 1HE LYS 29 10.309 14.902 4.782 201 HE3 LYS 29 2HE LYS 29 10.438 14.202 3.181 202 HZ1 LYS 29 1HZ LYS 29 11.528 16.482 3.788 203 HZ2 LYS 29 2HZ LYS 29 10.964 16.184 2.285 204 HZ3 LYS 29 3HZ LYS 29 10.072 17.065 3.331 205 H GLN 30 H GLN 30 5.508 13.198 2.386 206 HA GLN 30 HA GLN 30 5.274 15.830 1.251 207 HB2 GLN 30 1HB GLN 30 5.994 13.091 0.235 208 HB3 GLN 30 2HB GLN 30 5.367 14.247 -0.924 209 HG2 GLN 30 1HG GLN 30 7.125 15.907 0.124 210 HG3 GLN 30 2HG GLN 30 7.870 14.464 0.782 211 HE21 GLN 30 1HE2 GLN 30 6.623 15.871 -2.226 212 HE22 GLN 30 2HE2 GLN 30 7.768 15.147 -3.306 213 H ALA 31 H ALA 31 3.833 15.550 -1.051 214 HA ALA 31 HA ALA 31 1.164 14.985 0.000 215 HB1 ALA 31 1HB ALA 31 1.809 16.400 -2.595 216 HB2 ALA 31 2HB ALA 31 0.381 16.573 -1.546 217 HB3 ALA 31 3HB ALA 31 1.946 17.248 -1.036 218 H ASP 32 H ASP 32 3.604 13.389 -1.608 219 HA ASP 32 HA ASP 32 1.776 12.112 -3.462 220 HB2 ASP 32 1HB ASP 32 4.101 10.914 -4.043 221 HB3 ASP 32 2HB ASP 32 3.706 12.495 -4.686 222 H GLU 33 H GLU 33 3.434 11.791 -0.395 223 HA GLU 33 HA GLU 33 3.458 8.941 -0.415 224 HB2 GLU 33 1HB GLU 33 3.929 10.937 1.844 225 HB3 GLU 33 2HB GLU 33 4.213 9.212 1.961 226 HG2 GLU 33 1HG GLU 33 6.076 9.271 0.541 227 HG3 GLU 33 2HG GLU 33 5.507 10.680 -0.331 228 H VAL 34 H VAL 34 2.510 8.059 1.976 229 HA VAL 34 HA VAL 34 -0.095 9.190 2.475 230 HB VAL 34 HB VAL 34 -0.679 7.883 0.595 231 HG11 VAL 34 1HG1 VAL 34 -0.117 5.466 0.402 232 HG12 VAL 34 2HG1 VAL 34 1.314 6.524 0.358 233 HG13 VAL 34 3HG1 VAL 34 0.920 5.621 1.840 234 HG21 VAL 34 1HG2 VAL 34 -2.477 7.321 1.802 235 HG22 VAL 34 2HG2 VAL 34 -1.689 5.749 2.076 236 HG23 VAL 34 3HG2 VAL 34 -1.503 7.057 3.269 237 H THR 35 H THR 35 -0.611 8.933 4.610 238 HA THR 35 HA THR 35 1.316 7.762 6.322 239 HB THR 35 HB THR 35 -1.550 8.730 6.819 240 HG1 THR 35 1HG THR 35 -0.130 10.651 7.458 241 HG21 THR 35 1HG2 THR 35 0.200 7.446 8.612 242 HG22 THR 35 2HG2 THR 35 0.527 9.176 8.872 243 HG23 THR 35 3HG2 THR 35 -1.126 8.543 9.066 244 H LEU 36 H LEU 36 1.493 5.793 7.248 245 HA LEU 36 HA LEU 36 -0.760 3.963 6.822 246 HB2 LEU 36 1HB LEU 36 2.108 3.093 6.594 247 HB3 LEU 36 2HB LEU 36 0.658 2.224 6.132 248 HG LEU 36 HG LEU 36 1.406 4.795 4.750 249 HD11 LEU 36 1HD1 LEU 36 2.878 3.790 3.287 250 HD12 LEU 36 2HD1 LEU 36 3.306 3.003 4.825 251 HD13 LEU 36 3HD1 LEU 36 2.286 2.149 3.642 252 HD21 LEU 36 1HD2 LEU 36 -0.667 4.280 3.981 253 HD22 LEU 36 2HD2 LEU 36 0.287 3.280 2.859 254 HD23 LEU 36 3HD2 LEU 36 -0.476 2.536 4.285 255 H GLN 37 H GLN 37 -0.377 1.901 8.290 256 HA GLN 37 HA GLN 37 0.693 2.872 10.823 257 HB2 GLN 37 1HB GLN 37 -1.949 1.513 10.237 258 HB3 GLN 37 2HB GLN 37 -1.209 1.338 11.816 259 HG2 GLN 37 1HG GLN 37 -1.866 3.999 10.463 260 HG3 GLN 37 2HG GLN 37 -2.808 3.256 11.741 261 HE21 GLN 37 1HE2 GLN 37 -0.612 5.558 11.110 262 HE22 GLN 37 2HE2 GLN 37 0.214 5.691 12.627 263 H GLN 38 H GLN 38 0.760 0.756 12.423 264 HA GLN 38 HA GLN 38 2.634 -0.925 11.145 265 HB2 GLN 38 1HB GLN 38 2.941 -0.278 13.479 266 HB3 GLN 38 2HB GLN 38 1.395 -0.969 13.929 267 HG2 GLN 38 1HG GLN 38 2.176 -3.231 13.434 268 HG3 GLN 38 2HG GLN 38 3.653 -2.623 12.713 269 HE21 GLN 38 1HE2 GLN 38 5.365 -2.113 13.941 270 HE22 GLN 38 2HE2 GLN 38 5.448 -2.273 15.664 271 H ALA 39 H ALA 39 2.336 -2.920 10.207 272 HA ALA 39 HA ALA 39 1.366 -4.811 9.578 273 HB1 ALA 39 1HB ALA 39 0.304 -4.353 12.241 274 HB2 ALA 39 2HB ALA 39 -0.918 -5.138 11.211 275 HB3 ALA 39 3HB ALA 39 0.681 -5.890 11.427 276 H ASP 40 H ASP 40 0.791 -2.356 8.282 277 HA ASP 40 HA ASP 40 -2.055 -2.565 7.756 278 HB2 ASP 40 1HB ASP 40 0.048 -0.432 7.341 279 HB3 ASP 40 2HB ASP 40 -1.367 -0.419 6.306 280 H VAL 41 H VAL 41 -2.750 -3.386 5.748 281 HA VAL 41 HA VAL 41 -0.663 -4.288 3.941 282 HB VAL 41 HB VAL 41 -3.647 -4.777 3.906 283 HG11 VAL 41 1HG1 VAL 41 -2.751 -6.890 2.648 284 HG12 VAL 41 2HG1 VAL 41 -2.916 -5.346 1.778 285 HG13 VAL 41 3HG1 VAL 41 -1.317 -5.878 2.351 286 HG21 VAL 41 1HG2 VAL 41 -2.864 -5.638 5.984 287 HG22 VAL 41 2HG2 VAL 41 -2.993 -7.027 4.878 288 HG23 VAL 41 3HG2 VAL 41 -1.399 -6.317 5.233 289 H VAL 42 H VAL 42 -0.317 -3.478 1.891 290 HA VAL 42 HA VAL 42 -2.195 -1.421 0.981 291 HB VAL 42 HB VAL 42 0.804 -1.244 1.238 292 HG11 VAL 42 1HG1 VAL 42 0.186 -0.547 -1.039 293 HG12 VAL 42 2HG1 VAL 42 -1.013 0.585 -0.368 294 HG13 VAL 42 3HG1 VAL 42 0.721 0.837 -0.056 295 HG21 VAL 42 1HG2 VAL 42 -0.885 1.050 1.976 296 HG22 VAL 42 2HG2 VAL 42 -1.201 -0.419 2.930 297 HG23 VAL 42 3HG2 VAL 42 0.441 0.265 2.866 298 H LEU 43 H LEU 43 -2.780 -1.634 -1.142 299 HA LEU 43 HA LEU 43 -1.644 -3.895 -2.545 300 HB2 LEU 43 1HB LEU 43 -4.043 -3.681 -2.423 301 HB3 LEU 43 2HB LEU 43 -3.982 -2.072 -3.116 302 HG LEU 43 HG LEU 43 -2.813 -3.356 -5.133 303 HD11 LEU 43 1HD1 LEU 43 -4.482 -5.510 -3.807 304 HD12 LEU 43 2HD1 LEU 43 -3.864 -5.575 -5.476 305 HD13 LEU 43 3HD1 LEU 43 -2.727 -5.537 -4.107 306 HD21 LEU 43 1HD2 LEU 43 -5.500 -2.507 -4.503 307 HD22 LEU 43 2HD2 LEU 43 -4.617 -2.445 -6.047 308 HD23 LEU 43 3HD2 LEU 43 -5.525 -3.909 -5.599 309 H VAL 44 H VAL 44 0.224 -3.590 -3.635 310 HA VAL 44 HA VAL 44 1.166 -1.072 -4.388 311 HB VAL 44 HB VAL 44 1.869 -3.855 -5.338 312 HG11 VAL 44 1HG1 VAL 44 3.447 -3.025 -6.693 313 HG12 VAL 44 2HG1 VAL 44 2.615 -1.459 -6.535 314 HG13 VAL 44 3HG1 VAL 44 3.988 -1.848 -5.472 315 HG21 VAL 44 1HG2 VAL 44 2.481 -3.972 -3.150 316 HG22 VAL 44 2HG2 VAL 44 3.920 -3.118 -3.757 317 HG23 VAL 44 3HG2 VAL 44 2.608 -2.205 -2.974 318 H LEU 45 H LEU 45 1.089 0.099 -6.309 319 HA LEU 45 HA LEU 45 -0.678 -1.034 -8.365 320 HB2 LEU 45 1HB LEU 45 -0.568 1.745 -7.213 321 HB3 LEU 45 2HB LEU 45 -1.265 1.420 -8.788 322 HG LEU 45 HG LEU 45 -2.219 -0.082 -6.357 323 HD11 LEU 45 1HD1 LEU 45 -4.075 1.942 -6.753 324 HD12 LEU 45 2HD1 LEU 45 -2.911 1.812 -5.413 325 HD13 LEU 45 3HD1 LEU 45 -2.505 2.775 -6.853 326 HD21 LEU 45 1HD2 LEU 45 -2.801 -0.326 -9.032 327 HD22 LEU 45 2HD2 LEU 45 -3.828 -0.880 -7.687 328 HD23 LEU 45 3HD2 LEU 45 -4.126 0.705 -8.440 329 H GLN 46 H GLN 46 2.132 1.057 -7.550 330 HA GLN 46 HA GLN 46 3.171 0.395 -10.170 331 HB2 GLN 46 1HB GLN 46 2.425 3.106 -9.230 332 HB3 GLN 46 2HB GLN 46 4.057 3.008 -9.859 333 HG2 GLN 46 1HG GLN 46 3.307 2.848 -11.997 334 HG3 GLN 46 2HG GLN 46 2.252 1.509 -11.590 335 HE21 GLN 46 1HE2 GLN 46 0.231 1.857 -12.055 336 HE22 GLN 46 2HE2 GLN 46 -0.635 3.354 -11.957 337 H GLN 47 H GLN 47 5.155 -0.519 -9.880 338 HA GLN 47 HA GLN 47 6.494 0.054 -7.380 339 HB2 GLN 47 1HB GLN 47 6.506 -2.200 -9.352 340 HB3 GLN 47 2HB GLN 47 8.014 -1.899 -8.511 341 HG2 GLN 47 1HG GLN 47 6.612 -1.878 -6.325 342 HG3 GLN 47 2HG GLN 47 5.299 -2.534 -7.283 343 HE21 GLN 47 1HE2 GLN 47 8.816 -3.018 -6.936 344 HE22 GLN 47 2HE2 GLN 47 8.791 -4.747 -6.840 345 H GLU 48 H GLU 48 8.058 1.603 -7.338 346 HA GLU 48 HA GLU 48 9.606 1.923 -9.789 347 HB2 GLU 48 1HB GLU 48 7.842 3.797 -8.969 348 HB3 GLU 48 2HB GLU 48 9.203 4.288 -7.980 349 HG2 GLU 48 1HG GLU 48 10.532 3.996 -10.312 350 HG3 GLU 48 2HG GLU 48 8.938 4.282 -10.982 351 H ASP 49 H ASP 49 11.703 1.345 -9.441 352 HA ASP 49 HA ASP 49 12.794 0.533 -7.195 353 HB2 ASP 49 1HB ASP 49 13.737 1.100 -9.709 354 HB3 ASP 49 2HB ASP 49 14.595 2.320 -8.789 355 H GLY 50 H GLY 50 12.575 1.595 -5.194 356 HA2 GLY 50 1HA GLY 50 13.924 3.282 -3.938 357 HA3 GLY 50 2HA GLY 50 13.331 4.454 -5.099 358 H TRP 51 H TRP 51 10.630 3.561 -5.422 359 HA TRP 51 HA TRP 51 9.541 3.601 -2.714 360 HB2 TRP 51 1HB TRP 51 9.079 5.702 -4.820 361 HB3 TRP 51 2HB TRP 51 7.890 5.371 -3.575 362 HD1 TRP 51 HD TRP 51 11.662 6.391 -3.735 363 HE1 TRP 51 1HE TRP 51 12.285 7.948 -1.697 364 HE3 TRP 51 3HE TRP 51 7.113 6.139 -1.477 365 HZ2 TRP 51 2HZ TRP 51 10.837 8.878 0.579 366 HZ3 TRP 51 3HZ TRP 51 6.801 7.402 0.650 367 HH2 TRP 51 HH TRP 51 8.572 8.737 1.678 368 H LEU 52 H LEU 52 7.452 2.606 -2.613 369 HA LEU 52 HA LEU 52 6.645 1.339 -5.139 370 HB2 LEU 52 1HB LEU 52 6.149 0.139 -2.434 371 HB3 LEU 52 2HB LEU 52 6.113 -0.629 -4.009 372 HG LEU 52 HG LEU 52 8.047 -1.337 -2.696 373 HD11 LEU 52 1HD1 LEU 52 8.509 0.212 -5.231 374 HD12 LEU 52 2HD1 LEU 52 9.859 -0.595 -4.396 375 HD13 LEU 52 3HD1 LEU 52 8.468 -1.548 -4.966 376 HD21 LEU 52 1HD2 LEU 52 8.167 1.088 -1.622 377 HD22 LEU 52 2HD2 LEU 52 9.592 0.026 -1.723 378 HD23 LEU 52 3HD2 LEU 52 9.367 1.329 -2.914 379 H TYR 53 H TYR 53 4.740 2.071 -5.897 380 HA TYR 53 HA TYR 53 3.028 3.550 -4.081 381 HB2 TYR 53 1HB TYR 53 3.756 4.233 -6.470 382 HB3 TYR 53 2HB TYR 53 2.864 2.854 -7.079 383 HD1 TYR 53 1HD TYR 53 2.276 5.820 -4.845 384 HD2 TYR 53 2HD TYR 53 0.731 3.247 -7.894 385 HE1 TYR 53 1HE TYR 53 0.168 7.235 -4.981 386 HE2 TYR 53 2HE TYR 53 -1.372 4.671 -8.020 387 HH TYR 53 HH TYR 53 -1.621 7.599 -7.094 388 H GLY 54 H GLY 54 0.882 3.012 -3.572 389 HA2 GLY 54 1HA GLY 54 -0.413 0.746 -4.755 390 HA3 GLY 54 2HA GLY 54 0.219 0.390 -3.160 391 H GLU 55 H GLU 55 -2.311 0.116 -2.958 392 HA GLU 55 HA GLU 55 -3.320 2.699 -2.055 393 HB2 GLU 55 1HB GLU 55 -4.600 2.149 -4.012 394 HB3 GLU 55 2HB GLU 55 -4.769 0.472 -3.530 395 HG2 GLU 55 1HG GLU 55 -5.802 2.267 -1.450 396 HG3 GLU 55 2HG GLU 55 -6.575 2.585 -2.990 397 H ARG 56 H ARG 56 -3.514 2.726 0.138 398 HA ARG 56 HA ARG 56 -3.185 0.459 1.657 399 HB2 ARG 56 1HB ARG 56 -2.920 2.958 2.314 400 HB3 ARG 56 2HB ARG 56 -4.652 2.973 2.581 401 HG2 ARG 56 1HG ARG 56 -4.459 1.192 4.274 402 HG3 ARG 56 2HG ARG 56 -2.750 1.003 3.935 403 HD2 ARG 56 1HD ARG 56 -3.139 2.380 5.983 404 HD3 ARG 56 2HD ARG 56 -2.282 3.284 4.750 405 HE ARG 56 HE ARG 56 -5.035 3.764 4.314 406 HH11 ARG 56 2HH2 ARG 56 -2.661 4.353 6.843 407 HH12 ARG 56 1HH2 ARG 56 -3.456 5.773 7.436 408 HH21 ARG 56 2HH1 ARG 56 -6.085 5.638 5.095 409 HH22 ARG 56 1HH1 ARG 56 -5.416 6.509 6.435 410 H LEU 57 H LEU 57 -4.601 -1.273 1.640 411 HA LEU 57 HA LEU 57 -7.252 -1.141 0.886 412 HB2 LEU 57 1HB LEU 57 -5.761 -3.127 2.600 413 HB3 LEU 57 2HB LEU 57 -7.407 -3.368 2.049 414 HG LEU 57 HG LEU 57 -6.100 -4.582 0.544 415 HD11 LEU 57 1HD1 LEU 57 -7.753 -2.826 -0.434 416 HD12 LEU 57 2HD1 LEU 57 -6.277 -2.032 -1.032 417 HD13 LEU 57 3HD1 LEU 57 -6.649 -3.702 -1.522 418 HD21 LEU 57 1HD2 LEU 57 -4.244 -2.289 -0.049 419 HD22 LEU 57 2HD2 LEU 57 -3.955 -3.369 1.337 420 HD23 LEU 57 3HD2 LEU 57 -4.012 -4.034 -0.313 421 H ARG 58 H ARG 58 -5.689 -0.247 3.896 422 HA ARG 58 HA ARG 58 -7.542 -0.649 5.753 423 HB2 ARG 58 1HB ARG 58 -5.358 0.536 6.095 424 HB3 ARG 58 2HB ARG 58 -6.007 1.963 5.312 425 HG2 ARG 58 1HG ARG 58 -7.842 2.006 7.091 426 HG3 ARG 58 2HG ARG 58 -6.997 0.710 7.914 427 HD2 ARG 58 1HD ARG 58 -5.248 2.085 8.598 428 HD3 ARG 58 2HD ARG 58 -5.338 3.099 7.171 429 HE ARG 58 HE ARG 58 -7.729 3.616 8.494 430 HH11 ARG 58 2HH2 ARG 58 -4.329 3.762 9.390 431 HH12 ARG 58 1HH2 ARG 58 -4.555 5.035 10.542 432 HH21 ARG 58 2HH1 ARG 58 -8.028 5.296 10.014 433 HH22 ARG 58 1HH1 ARG 58 -6.674 5.913 10.900 434 H ASP 59 H ASP 59 -7.363 2.455 3.840 435 HA ASP 59 HA ASP 59 -10.251 2.633 4.200 436 HB2 ASP 59 1HB ASP 59 -8.078 4.547 4.590 437 HB3 ASP 59 2HB ASP 59 -9.205 5.162 3.398 438 H GLY 60 H GLY 60 -7.454 2.616 2.035 439 HA2 GLY 60 1HA GLY 60 -7.841 1.893 -0.229 440 HA3 GLY 60 2HA GLY 60 -9.264 2.913 -0.284 441 H GLU 61 H GLU 61 -6.540 4.236 1.470 442 HA GLU 61 HA GLU 61 -6.366 6.362 -0.360 443 HB2 GLU 61 1HB GLU 61 -5.572 5.828 2.321 444 HB3 GLU 61 2HB GLU 61 -4.100 6.234 1.462 445 HG2 GLU 61 1HG GLU 61 -5.810 8.156 0.470 446 HG3 GLU 61 2HG GLU 61 -6.469 7.942 2.079 447 H THR 62 H THR 62 -4.996 6.677 -2.088 448 HA THR 62 HA THR 62 -2.958 4.595 -2.507 449 HB THR 62 HB THR 62 -3.993 6.376 -4.712 450 HG1 THR 62 1HG THR 62 -5.339 4.051 -3.533 451 HG21 THR 62 1HG2 THR 62 -2.557 4.674 -5.545 452 HG22 THR 62 2HG2 THR 62 -3.125 3.485 -4.349 453 HG23 THR 62 3HG2 THR 62 -4.166 3.935 -5.721 454 H GLY 63 H GLY 63 -0.952 5.189 -1.997 455 HA2 GLY 63 1HA GLY 63 -0.044 7.829 -2.891 456 HA3 GLY 63 2HA GLY 63 0.092 7.443 -1.187 457 H TRP 64 H TRP 64 2.481 7.887 -1.993 458 HA TRP 64 HA TRP 64 3.621 5.473 -3.175 459 HB2 TRP 64 1HB TRP 64 4.589 8.289 -2.785 460 HB3 TRP 64 2HB TRP 64 5.728 6.987 -3.062 461 HD1 TRP 64 HD TRP 64 3.154 9.111 -4.907 462 HE1 TRP 64 1HE TRP 64 3.196 8.667 -7.508 463 HE3 TRP 64 3HE TRP 64 6.215 5.057 -4.694 464 HZ2 TRP 64 2HZ TRP 64 4.476 6.713 -9.147 465 HZ3 TRP 64 3HZ TRP 64 6.812 3.939 -6.841 466 HH2 TRP 64 HH TRP 64 5.996 4.704 -9.013 467 H PHE 65 H PHE 65 4.358 3.905 -1.810 468 HA PHE 65 HA PHE 65 5.230 4.787 0.852 469 HB2 PHE 65 1HB PHE 65 4.126 2.833 1.729 470 HB3 PHE 65 2HB PHE 65 3.003 3.411 0.515 471 HD1 PHE 65 1HD PHE 65 5.832 1.026 0.946 472 HD2 PHE 65 2HD PHE 65 2.259 1.963 -1.143 473 HE1 PHE 65 1HE PHE 65 5.912 -1.209 -0.193 474 HE2 PHE 65 2HE PHE 65 2.339 -0.272 -2.282 475 HZ PHE 65 HZ PHE 65 4.165 -1.831 -1.794 476 HA PRO 66 HA PRO 66 8.933 2.819 -0.318 477 HB2 PRO 66 1HB PRO 66 10.293 3.085 2.038 478 HB3 PRO 66 2HB PRO 66 10.197 4.358 0.838 479 HG2 PRO 66 1HG PRO 66 8.784 4.140 3.425 480 HG3 PRO 66 2HG PRO 66 9.036 5.559 2.428 481 HD2 PRO 66 1HD PRO 66 6.614 4.041 2.673 482 HD3 PRO 66 2HD PRO 66 6.902 5.388 1.590 483 H GLU 67 H GLU 67 10.139 0.882 -0.152 484 HA GLU 67 HA GLU 67 8.502 -1.167 0.871 485 HB2 GLU 67 1HB GLU 67 10.594 -2.590 0.252 486 HB3 GLU 67 2HB GLU 67 9.735 -1.774 -1.039 487 HG2 GLU 67 1HG GLU 67 11.514 -0.430 -1.524 488 HG3 GLU 67 2HG GLU 67 11.784 -0.034 0.161 489 H ASP 68 H ASP 68 11.410 0.582 1.996 490 HA ASP 68 HA ASP 68 12.317 -1.102 3.897 491 HB2 ASP 68 1HB ASP 68 12.692 1.585 3.184 492 HB3 ASP 68 2HB ASP 68 12.143 1.695 4.845 493 H PHE 69 H PHE 69 9.288 0.674 3.735 494 HA PHE 69 HA PHE 69 8.776 0.117 6.569 495 HB2 PHE 69 1HB PHE 69 7.567 2.026 4.482 496 HB3 PHE 69 2HB PHE 69 6.881 1.828 6.082 497 HD1 PHE 69 1HD PHE 69 10.034 2.790 4.357 498 HD2 PHE 69 2HD PHE 69 7.651 3.136 7.851 499 HE1 PHE 69 1HE PHE 69 11.586 4.554 5.241 500 HE2 PHE 69 2HE PHE 69 9.203 4.900 8.735 501 HZ PHE 69 HZ PHE 69 11.151 5.588 7.419 502 H ALA 70 H ALA 70 8.671 -1.923 4.421 503 HA ALA 70 HA ALA 70 6.098 -2.950 5.029 504 HB1 ALA 70 1HB ALA 70 4.902 -2.423 3.192 505 HB2 ALA 70 2HB ALA 70 6.150 -1.199 2.854 506 HB3 ALA 70 3HB ALA 70 6.259 -2.811 2.107 507 H ARG 71 H ARG 71 5.850 -5.180 4.117 508 HA ARG 71 HA ARG 71 8.440 -6.214 3.289 509 HB2 ARG 71 1HB ARG 71 6.585 -7.151 5.486 510 HB3 ARG 71 2HB ARG 71 7.496 -8.366 4.612 511 HG2 ARG 71 1HG ARG 71 9.611 -7.018 5.099 512 HG3 ARG 71 2HG ARG 71 8.644 -5.973 6.121 513 HD2 ARG 71 1HD ARG 71 9.501 -7.542 7.666 514 HD3 ARG 71 2HD ARG 71 7.904 -8.181 7.333 515 HE ARG 71 HE ARG 71 10.479 -9.309 6.401 516 HH11 ARG 71 2HH2 ARG 71 6.965 -9.409 6.243 517 HH12 ARG 71 1HH2 ARG 71 6.913 -11.013 5.593 518 HH21 ARG 71 2HH1 ARG 71 10.411 -11.426 5.543 519 HH22 ARG 71 1HH1 ARG 71 8.886 -12.168 5.192 520 H PHE 72 H PHE 72 8.211 -7.028 1.230 521 HA PHE 72 HA PHE 72 5.808 -7.411 -0.038 522 HB2 PHE 72 1HB PHE 72 8.699 -8.197 -0.326 523 HB3 PHE 72 2HB PHE 72 7.591 -9.175 -1.267 524 HD1 PHE 72 2HD PHE 72 6.116 -8.063 -2.964 525 HD2 PHE 72 1HD PHE 72 9.247 -5.987 -0.991 526 HE1 PHE 72 2HE PHE 72 6.063 -6.293 -4.743 527 HE2 PHE 72 1HE PHE 72 9.194 -4.217 -2.770 528 HZ PHE 72 HZ PHE 72 7.603 -4.391 -4.625 529 H ILE 73 H ILE 73 4.327 -9.063 -0.223 530 HA ILE 73 HA ILE 73 4.930 -11.465 1.351 531 HB ILE 73 HB ILE 73 2.254 -10.287 0.593 532 HG12 ILE 73 1HG1 ILE 73 3.908 -10.065 3.114 533 HG13 ILE 73 2HG1 ILE 73 3.268 -8.772 2.119 534 HG21 ILE 73 1HG2 ILE 73 2.503 -12.250 2.794 535 HG22 ILE 73 2HG2 ILE 73 1.233 -12.046 1.564 536 HG23 ILE 73 3HG2 ILE 73 2.748 -12.885 1.149 537 HD11 ILE 73 1HD1 ILE 73 1.846 -8.963 4.073 538 HD12 ILE 73 2HD1 ILE 73 0.924 -9.588 2.685 539 HD13 ILE 73 3HD1 ILE 73 1.671 -10.719 3.839 540 H SER 74 H SER 74 5.881 -12.876 -0.076 541 HA SER 74 HA SER 74 5.764 -14.497 -1.565 542 HB2 SER 74 1HB SER 74 3.144 -14.073 -1.446 543 HB3 SER 74 2HB SER 74 3.383 -13.320 -3.010 544 HG SER 74 HG SER 74 2.878 -15.740 -2.892 545 H GLY 75 H GLY 75 7.658 -12.803 -1.971 546 HA2 GLY 75 1HA GLY 75 7.799 -12.419 -4.818 547 HA3 GLY 75 2HA GLY 75 7.689 -10.913 -3.928 548 HA PRO 76 HA PRO 76 12.056 -11.661 -3.753 549 HB2 PRO 76 1HB PRO 76 12.809 -9.043 -3.533 550 HB3 PRO 76 2HB PRO 76 12.592 -9.852 -5.072 551 HG2 PRO 76 1HG PRO 76 10.828 -7.883 -3.749 552 HG3 PRO 76 2HG PRO 76 10.859 -8.374 -5.431 553 HD2 PRO 76 1HD PRO 76 8.959 -9.186 -3.441 554 HD3 PRO 76 2HD PRO 76 9.060 -9.764 -5.092 555 H SER 77 H SER 77 11.329 -12.772 -1.718 556 HA SER 77 HA SER 77 12.324 -11.103 0.454 557 HB2 SER 77 1HB SER 77 10.077 -13.157 0.651 558 HB3 SER 77 2HB SER 77 10.702 -12.196 1.975 559 HG SER 77 HG SER 77 8.934 -11.045 1.308 560 H SER 78 H SER 78 14.193 -11.969 1.269 561 HA SER 78 HA SER 78 14.304 -14.817 1.623 562 HB2 SER 78 1HB SER 78 15.279 -14.117 -0.716 563 HB3 SER 78 2HB SER 78 16.632 -13.489 0.204 564 HG SER 78 HG SER 78 15.653 -16.209 0.406 565 H GLY 79 H GLY 79 15.171 -15.196 3.636 566 HA2 GLY 79 1HA GLY 79 17.466 -14.110 4.687 567 HA3 GLY 79 2HA GLY 79 16.186 -13.019 5.182 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -18.025 23.505 1.854 2 HA2 GLY 1 1HA GLY 1 -16.084 24.943 1.898 3 HA3 GLY 1 2HA GLY 1 -15.775 23.497 2.840 4 H SER 2 H SER 2 -15.272 25.063 -0.355 5 HA SER 2 HA SER 2 -13.727 24.853 -1.863 6 HB2 SER 2 1HB SER 2 -12.242 25.172 0.196 7 HB3 SER 2 2HB SER 2 -12.009 23.435 0.217 8 HG SER 2 HG SER 2 -10.958 23.519 -1.788 9 H SER 3 H SER 3 -14.401 23.464 -3.474 10 HA SER 3 HA SER 3 -14.773 20.721 -2.942 11 HB2 SER 3 1HB SER 3 -15.491 20.568 -5.240 12 HB3 SER 3 2HB SER 3 -16.088 22.092 -4.612 13 HG SER 3 HG SER 3 -14.706 23.225 -5.876 14 H GLY 4 H GLY 4 -12.983 19.441 -2.558 15 HA2 GLY 4 1HA GLY 4 -10.769 19.638 -4.510 16 HA3 GLY 4 2HA GLY 4 -10.492 19.465 -2.788 17 H SER 5 H SER 5 -9.274 17.486 -3.763 18 HA SER 5 HA SER 5 -9.091 15.336 -3.986 19 HB2 SER 5 1HB SER 5 -10.357 13.923 -2.585 20 HB3 SER 5 2HB SER 5 -10.479 15.482 -1.794 21 HG SER 5 HG SER 5 -12.453 14.324 -3.574 22 H SER 6 H SER 6 -9.136 14.530 -6.051 23 HA SER 6 HA SER 6 -11.240 15.056 -7.785 24 HB2 SER 6 1HB SER 6 -10.051 13.555 -9.342 25 HB3 SER 6 2HB SER 6 -8.927 14.633 -8.539 26 HG SER 6 HG SER 6 -8.521 12.136 -8.694 27 H GLY 7 H GLY 7 -12.581 13.344 -8.950 28 HA2 GLY 7 1HA GLY 7 -12.969 10.769 -7.932 29 HA3 GLY 7 2HA GLY 7 -14.081 11.840 -7.102 30 H TRP 8 H TRP 8 -14.049 9.700 -9.533 31 HA TRP 8 HA TRP 8 -15.571 11.349 -11.412 32 HB2 TRP 8 1HB TRP 8 -13.780 9.076 -11.650 33 HB3 TRP 8 2HB TRP 8 -15.315 8.766 -12.437 34 HD1 TRP 8 HD TRP 8 -12.324 11.214 -12.644 35 HE1 TRP 8 1HE TRP 8 -12.230 12.398 -15.000 36 HE3 TRP 8 3HE TRP 8 -16.757 9.379 -14.328 37 HZ2 TRP 8 2HZ TRP 8 -13.982 12.434 -17.253 38 HZ3 TRP 8 3HZ TRP 8 -17.492 10.038 -16.617 39 HH2 TRP 8 HH TRP 8 -16.184 11.511 -18.064 40 H GLN 9 H GLN 9 -15.722 7.927 -10.175 41 HA GLN 9 HA GLN 9 -18.181 8.306 -8.924 42 HB2 GLN 9 1HB GLN 9 -18.695 8.382 -11.528 43 HB3 GLN 9 2HB GLN 9 -18.528 6.640 -11.423 44 HG2 GLN 9 1HG GLN 9 -20.356 8.233 -9.571 45 HG3 GLN 9 2HG GLN 9 -20.904 7.564 -11.095 46 HE21 GLN 9 1HE2 GLN 9 -20.285 5.200 -11.432 47 HE22 GLN 9 2HE2 GLN 9 -20.560 4.120 -10.106 48 H GLY 10 H GLY 10 -16.459 5.818 -10.954 49 HA2 GLY 10 1HA GLY 10 -15.663 4.311 -8.673 50 HA3 GLY 10 2HA GLY 10 -17.061 3.589 -9.444 51 H LEU 11 H LEU 11 -13.705 4.769 -10.049 52 HA LEU 11 HA LEU 11 -13.468 2.662 -12.061 53 HB2 LEU 11 1HB LEU 11 -12.914 5.589 -12.417 54 HB3 LEU 11 2HB LEU 11 -11.989 4.398 -13.310 55 HG LEU 11 HG LEU 11 -15.008 4.434 -13.371 56 HD11 LEU 11 1HD1 LEU 11 -13.171 6.370 -14.537 57 HD12 LEU 11 2HD1 LEU 11 -14.161 5.549 -15.767 58 HD13 LEU 11 3HD1 LEU 11 -14.946 6.399 -14.415 59 HD21 LEU 11 1HD2 LEU 11 -13.517 3.562 -15.738 60 HD22 LEU 11 2HD2 LEU 11 -13.196 2.579 -14.289 61 HD23 LEU 11 3HD2 LEU 11 -14.865 2.787 -14.873 62 H SER 12 H SER 12 -12.235 1.309 -10.781 63 HA SER 12 HA SER 12 -9.711 2.487 -9.923 64 HB2 SER 12 1HB SER 12 -11.714 0.941 -8.372 65 HB3 SER 12 2HB SER 12 -10.075 0.345 -8.198 66 HG SER 12 HG SER 12 -10.638 3.157 -7.953 67 H SER 13 H SER 13 -11.420 -0.694 -10.428 68 HA SER 13 HA SER 13 -10.856 -2.493 -11.503 69 HB2 SER 13 1HB SER 13 -9.258 -0.437 -12.951 70 HB3 SER 13 2HB SER 13 -8.696 -2.083 -13.160 71 HG SER 13 HG SER 13 -10.221 -2.095 -14.688 72 H LYS 14 H LYS 14 -9.730 -4.292 -10.773 73 HA LYS 14 HA LYS 14 -6.967 -4.044 -10.029 74 HB2 LYS 14 1HB LYS 14 -7.252 -4.700 -7.702 75 HB3 LYS 14 2HB LYS 14 -8.035 -3.164 -8.014 76 HG2 LYS 14 1HG LYS 14 -9.830 -5.474 -8.468 77 HG3 LYS 14 2HG LYS 14 -9.229 -5.396 -6.823 78 HD2 LYS 14 1HD LYS 14 -9.877 -2.834 -6.974 79 HD3 LYS 14 2HD LYS 14 -10.864 -3.335 -8.333 80 HE2 LYS 14 1HE LYS 14 -11.328 -5.220 -6.206 81 HE3 LYS 14 2HE LYS 14 -11.419 -3.616 -5.505 82 HZ1 LYS 14 1HZ LYS 14 -13.522 -4.025 -6.316 83 HZ2 LYS 14 2HZ LYS 14 -12.875 -3.094 -7.491 84 HZ3 LYS 14 3HZ LYS 14 -13.001 -4.708 -7.705 85 H GLY 15 H GLY 15 -6.371 -6.357 -8.911 86 HA2 GLY 15 1HA GLY 15 -7.961 -8.557 -9.824 87 HA3 GLY 15 2HA GLY 15 -6.583 -8.263 -10.867 88 H ASP 16 H ASP 16 -4.719 -9.314 -10.344 89 HA ASP 16 HA ASP 16 -4.491 -10.181 -7.573 90 HB2 ASP 16 1HB ASP 16 -3.025 -11.282 -10.013 91 HB3 ASP 16 2HB ASP 16 -3.059 -11.989 -8.410 92 H LEU 17 H LEU 17 -3.658 -7.790 -7.350 93 HA LEU 17 HA LEU 17 -1.015 -7.382 -8.470 94 HB2 LEU 17 1HB LEU 17 -3.044 -5.692 -7.063 95 HB3 LEU 17 2HB LEU 17 -1.365 -5.187 -7.071 96 HG LEU 17 HG LEU 17 -3.083 -5.692 -9.517 97 HD11 LEU 17 1HD1 LEU 17 -3.685 -3.659 -8.253 98 HD12 LEU 17 2HD1 LEU 17 -2.006 -3.087 -8.403 99 HD13 LEU 17 3HD1 LEU 17 -3.009 -3.295 -9.859 100 HD21 LEU 17 1HD2 LEU 17 -1.099 -6.118 -10.486 101 HD22 LEU 17 2HD2 LEU 17 -0.916 -4.347 -10.440 102 HD23 LEU 17 3HD2 LEU 17 -0.168 -5.353 -9.176 103 HA PRO 18 HA PRO 18 1.110 -8.442 -4.867 104 HB2 PRO 18 1HB PRO 18 3.218 -6.703 -4.827 105 HB3 PRO 18 2HB PRO 18 3.163 -8.119 -5.858 106 HG2 PRO 18 1HG PRO 18 2.788 -5.280 -6.589 107 HG3 PRO 18 2HG PRO 18 3.157 -6.641 -7.628 108 HD2 PRO 18 1HD PRO 18 0.611 -5.356 -7.325 109 HD3 PRO 18 2HD PRO 18 0.956 -6.788 -8.274 110 H GLN 19 H GLN 19 1.483 -8.129 -2.640 111 HA GLN 19 HA GLN 19 0.489 -5.530 -1.781 112 HB2 GLN 19 1HB GLN 19 -0.330 -8.272 -0.746 113 HB3 GLN 19 2HB GLN 19 -0.606 -6.805 0.172 114 HG2 GLN 19 1HG GLN 19 -1.837 -5.863 -1.861 115 HG3 GLN 19 2HG GLN 19 -1.694 -7.441 -2.608 116 HE21 GLN 19 1HE2 GLN 19 -3.917 -7.689 -2.673 117 HE22 GLN 19 2HE2 GLN 19 -4.870 -8.070 -1.278 118 H VAL 20 H VAL 20 1.385 -4.741 0.233 119 HA VAL 20 HA VAL 20 3.612 -6.347 1.260 120 HB VAL 20 HB VAL 20 5.036 -4.424 1.306 121 HG11 VAL 20 1HG1 VAL 20 5.687 -4.622 -0.843 122 HG12 VAL 20 2HG1 VAL 20 4.335 -5.772 -0.972 123 HG13 VAL 20 3HG1 VAL 20 4.115 -4.079 -1.477 124 HG21 VAL 20 1HG2 VAL 20 3.258 -2.655 -0.276 125 HG22 VAL 20 2HG2 VAL 20 2.796 -2.895 1.426 126 HG23 VAL 20 3HG2 VAL 20 4.411 -2.265 1.022 127 H GLU 21 H GLU 21 4.002 -6.118 3.505 128 HA GLU 21 HA GLU 21 1.771 -4.848 4.863 129 HB2 GLU 21 1HB GLU 21 2.230 -7.299 5.250 130 HB3 GLU 21 2HB GLU 21 3.783 -6.871 5.941 131 HG2 GLU 21 1HG GLU 21 2.756 -5.685 7.778 132 HG3 GLU 21 2HG GLU 21 1.186 -5.686 7.001 133 H ILE 22 H ILE 22 2.120 -2.865 5.754 134 HA ILE 22 HA ILE 22 4.699 -1.752 5.881 135 HB ILE 22 HB ILE 22 2.108 -0.863 7.154 136 HG12 ILE 22 1HG1 ILE 22 1.608 -0.930 4.894 137 HG13 ILE 22 2HG1 ILE 22 2.172 0.716 5.105 138 HG21 ILE 22 1HG2 ILE 22 4.595 0.085 7.747 139 HG22 ILE 22 2HG2 ILE 22 4.125 1.145 6.396 140 HG23 ILE 22 3HG2 ILE 22 3.090 1.032 7.840 141 HD11 ILE 22 1HD1 ILE 22 3.750 -1.638 3.982 142 HD12 ILE 22 2HD1 ILE 22 3.255 -0.157 3.127 143 HD13 ILE 22 3HD1 ILE 22 4.496 -0.077 4.401 144 H THR 23 H THR 23 6.218 -2.735 7.154 145 HA THR 23 HA THR 23 5.679 -4.058 9.542 146 HB THR 23 HB THR 23 8.223 -3.689 9.832 147 HG1 THR 23 1HG THR 23 8.634 -1.797 8.692 148 HG21 THR 23 1HG2 THR 23 6.866 -5.316 7.990 149 HG22 THR 23 2HG2 THR 23 8.023 -4.423 6.972 150 HG23 THR 23 3HG2 THR 23 8.609 -5.395 8.344 151 H LYS 24 H LYS 24 6.678 -0.637 8.955 152 HA LYS 24 HA LYS 24 5.629 -0.060 11.623 153 HB2 LYS 24 1HB LYS 24 7.547 1.470 12.023 154 HB3 LYS 24 2HB LYS 24 7.993 -0.224 11.982 155 HG2 LYS 24 1HG LYS 24 8.432 0.254 9.396 156 HG3 LYS 24 2HG LYS 24 8.524 1.925 9.917 157 HD2 LYS 24 1HD LYS 24 10.405 1.524 11.319 158 HD3 LYS 24 2HD LYS 24 10.104 -0.201 11.396 159 HE2 LYS 24 1HE LYS 24 10.627 -0.335 8.905 160 HE3 LYS 24 2HE LYS 24 11.080 1.357 8.956 161 HZ1 LYS 24 1HZ LYS 24 13.060 0.550 9.492 162 HZ2 LYS 24 2HZ LYS 24 12.463 0.326 10.995 163 HZ3 LYS 24 3HZ LYS 24 12.494 -0.916 9.936 164 H ALA 25 H ALA 25 4.600 1.964 11.811 165 HA ALA 25 HA ALA 25 3.240 2.910 9.683 166 HB1 ALA 25 1HB ALA 25 2.610 3.578 11.874 167 HB2 ALA 25 2HB ALA 25 4.217 4.264 12.215 168 HB3 ALA 25 3HB ALA 25 3.127 5.078 11.067 169 H PHE 26 H PHE 26 3.424 4.843 8.323 170 HA PHE 26 HA PHE 26 6.177 5.777 8.012 171 HB2 PHE 26 1HB PHE 26 5.960 4.136 6.261 172 HB3 PHE 26 2HB PHE 26 4.251 4.460 6.052 173 HD1 PHE 26 1HD PHE 26 7.408 6.461 5.837 174 HD2 PHE 26 2HD PHE 26 3.722 5.393 4.024 175 HE1 PHE 26 1HE PHE 26 7.930 7.959 3.892 176 HE2 PHE 26 2HE PHE 26 4.245 6.891 2.079 177 HZ PHE 26 HZ PHE 26 6.342 8.157 2.036 178 H PHE 27 H PHE 27 5.352 7.696 9.157 179 HA PHE 27 HA PHE 27 3.151 9.146 8.396 180 HB2 PHE 27 1HB PHE 27 5.925 10.136 9.288 181 HB3 PHE 27 2HB PHE 27 4.425 11.015 9.508 182 HD1 PHE 27 1HD PHE 27 2.615 8.922 10.501 183 HD2 PHE 27 2HD PHE 27 6.690 9.664 11.426 184 HE1 PHE 27 1HE PHE 27 2.305 7.833 12.741 185 HE2 PHE 27 2HE PHE 27 6.379 8.575 13.666 186 HZ PHE 27 HZ PHE 27 4.191 7.673 14.297 187 H ALA 28 H ALA 28 2.654 9.741 6.324 188 HA ALA 28 HA ALA 28 4.614 10.222 4.365 189 HB1 ALA 28 1HB ALA 28 2.676 10.977 3.025 190 HB2 ALA 28 2HB ALA 28 2.322 9.456 3.880 191 HB3 ALA 28 3HB ALA 28 1.670 10.995 4.494 192 H LYS 29 H LYS 29 5.670 12.073 3.734 193 HA LYS 29 HA LYS 29 5.002 14.479 5.280 194 HB2 LYS 29 1HB LYS 29 7.277 15.072 5.279 195 HB3 LYS 29 2HB LYS 29 7.251 13.364 5.666 196 HG2 LYS 29 1HG LYS 29 8.756 13.121 3.972 197 HG3 LYS 29 2HG LYS 29 7.385 13.299 2.894 198 HD2 LYS 29 1HD LYS 29 7.916 15.493 2.338 199 HD3 LYS 29 2HD LYS 29 8.601 15.846 3.912 200 HE2 LYS 29 1HE LYS 29 10.303 13.854 2.844 201 HE3 LYS 29 2HE LYS 29 9.940 14.888 1.477 202 HZ1 LYS 29 1HZ LYS 29 10.424 16.730 3.225 203 HZ2 LYS 29 2HZ LYS 29 11.293 15.553 3.951 204 HZ3 LYS 29 3HZ LYS 29 11.645 16.003 2.421 205 H GLN 30 H GLN 30 5.632 13.049 2.073 206 HA GLN 30 HA GLN 30 5.388 15.624 0.832 207 HB2 GLN 30 1HB GLN 30 5.899 12.808 -0.171 208 HB3 GLN 30 2HB GLN 30 5.504 14.091 -1.297 209 HG2 GLN 30 1HG GLN 30 7.408 15.433 -0.028 210 HG3 GLN 30 2HG GLN 30 7.920 13.849 0.517 211 HE21 GLN 30 1HE2 GLN 30 7.872 16.109 -2.016 212 HE22 GLN 30 2HE2 GLN 30 8.656 15.180 -3.250 213 H ALA 31 H ALA 31 3.895 15.327 -1.409 214 HA ALA 31 HA ALA 31 1.237 14.861 -0.299 215 HB1 ALA 31 1HB ALA 31 2.097 17.026 -1.512 216 HB2 ALA 31 2HB ALA 31 1.829 16.080 -2.995 217 HB3 ALA 31 3HB ALA 31 0.474 16.398 -1.885 218 H ASP 32 H ASP 32 3.613 13.125 -1.880 219 HA ASP 32 HA ASP 32 1.689 11.758 -3.572 220 HB2 ASP 32 1HB ASP 32 4.035 10.528 -4.153 221 HB3 ASP 32 2HB ASP 32 3.512 11.996 -4.954 222 H GLU 33 H GLU 33 3.459 11.629 -0.570 223 HA GLU 33 HA GLU 33 3.483 8.770 -0.440 224 HB2 GLU 33 1HB GLU 33 4.187 10.900 1.626 225 HB3 GLU 33 2HB GLU 33 4.410 9.178 1.867 226 HG2 GLU 33 1HG GLU 33 6.120 9.029 0.238 227 HG3 GLU 33 2HG GLU 33 5.596 10.480 -0.595 228 H VAL 34 H VAL 34 2.522 7.702 1.635 229 HA VAL 34 HA VAL 34 0.072 9.042 2.476 230 HB VAL 34 HB VAL 34 -0.744 7.797 0.667 231 HG11 VAL 34 1HG1 VAL 34 1.291 6.444 0.269 232 HG12 VAL 34 2HG1 VAL 34 0.843 5.395 1.636 233 HG13 VAL 34 3HG1 VAL 34 -0.198 5.471 0.194 234 HG21 VAL 34 1HG2 VAL 34 -2.430 6.870 1.806 235 HG22 VAL 34 2HG2 VAL 34 -1.376 5.599 2.470 236 HG23 VAL 34 3HG2 VAL 34 -1.492 7.176 3.288 237 H THR 35 H THR 35 -0.324 8.763 4.637 238 HA THR 35 HA THR 35 1.677 7.512 6.204 239 HB THR 35 HB THR 35 -1.114 8.577 6.892 240 HG1 THR 35 1HG THR 35 0.232 10.207 5.976 241 HG21 THR 35 1HG2 THR 35 -0.567 8.348 9.111 242 HG22 THR 35 2HG2 THR 35 0.660 7.181 8.562 243 HG23 THR 35 3HG2 THR 35 1.106 8.884 8.824 244 H LEU 36 H LEU 36 1.885 5.504 7.006 245 HA LEU 36 HA LEU 36 -0.454 3.752 6.704 246 HB2 LEU 36 1HB LEU 36 2.377 2.797 6.395 247 HB3 LEU 36 2HB LEU 36 0.887 1.991 5.945 248 HG LEU 36 HG LEU 36 1.676 4.561 4.592 249 HD11 LEU 36 1HD1 LEU 36 3.228 3.634 3.230 250 HD12 LEU 36 2HD1 LEU 36 3.490 2.584 4.644 251 HD13 LEU 36 3HD1 LEU 36 2.485 2.018 3.289 252 HD21 LEU 36 1HD2 LEU 36 -0.431 4.053 3.876 253 HD22 LEU 36 2HD2 LEU 36 0.519 3.138 2.681 254 HD23 LEU 36 3HD2 LEU 36 -0.204 2.299 4.075 255 H GLN 37 H GLN 37 -0.455 1.890 8.250 256 HA GLN 37 HA GLN 37 0.787 2.771 10.736 257 HB2 GLN 37 1HB GLN 37 -1.836 1.412 10.111 258 HB3 GLN 37 2HB GLN 37 -1.098 1.142 11.677 259 HG2 GLN 37 1HG GLN 37 -1.749 3.878 10.481 260 HG3 GLN 37 2HG GLN 37 -2.686 3.067 11.720 261 HE21 GLN 37 1HE2 GLN 37 -0.325 5.293 11.126 262 HE22 GLN 37 2HE2 GLN 37 0.453 5.375 12.672 263 H GLN 38 H GLN 38 1.344 0.923 12.300 264 HA GLN 38 HA GLN 38 3.062 -0.820 10.989 265 HB2 GLN 38 1HB GLN 38 3.467 -0.057 13.282 266 HB3 GLN 38 2HB GLN 38 1.995 -0.823 13.845 267 HG2 GLN 38 1HG GLN 38 3.740 -2.719 12.411 268 HG3 GLN 38 2HG GLN 38 4.555 -1.986 13.779 269 HE21 GLN 38 1HE2 GLN 38 3.534 -4.718 13.285 270 HE22 GLN 38 2HE2 GLN 38 2.497 -5.109 14.616 271 H ALA 39 H ALA 39 2.767 -2.839 10.113 272 HA ALA 39 HA ALA 39 1.834 -4.785 9.610 273 HB1 ALA 39 1HB ALA 39 0.924 -4.283 12.333 274 HB2 ALA 39 2HB ALA 39 -0.291 -5.195 11.406 275 HB3 ALA 39 3HB ALA 39 1.369 -5.820 11.553 276 H ASP 40 H ASP 40 1.126 -2.638 8.098 277 HA ASP 40 HA ASP 40 -1.763 -2.932 7.846 278 HB2 ASP 40 1HB ASP 40 0.148 -0.662 7.208 279 HB3 ASP 40 2HB ASP 40 -1.392 -0.759 6.378 280 H VAL 41 H VAL 41 -2.570 -3.568 5.769 281 HA VAL 41 HA VAL 41 -0.514 -4.473 3.909 282 HB VAL 41 HB VAL 41 -3.479 -5.055 4.059 283 HG11 VAL 41 1HG1 VAL 41 -2.621 -5.322 1.793 284 HG12 VAL 41 2HG1 VAL 41 -1.279 -6.326 2.393 285 HG13 VAL 41 3HG1 VAL 41 -2.955 -6.915 2.513 286 HG21 VAL 41 1HG2 VAL 41 -1.223 -6.928 4.811 287 HG22 VAL 41 2HG2 VAL 41 -2.015 -5.860 5.995 288 HG23 VAL 41 3HG2 VAL 41 -2.965 -7.097 5.138 289 H VAL 42 H VAL 42 -0.356 -3.730 1.788 290 HA VAL 42 HA VAL 42 -2.313 -1.724 0.964 291 HB VAL 42 HB VAL 42 0.664 -1.363 1.237 292 HG11 VAL 42 1HG1 VAL 42 0.231 0.838 -0.033 293 HG12 VAL 42 2HG1 VAL 42 0.366 -0.660 -0.985 294 HG13 VAL 42 3HG1 VAL 42 -1.236 0.039 -0.649 295 HG21 VAL 42 1HG2 VAL 42 -1.028 0.911 1.864 296 HG22 VAL 42 2HG2 VAL 42 -1.540 -0.536 2.765 297 HG23 VAL 42 3HG2 VAL 42 0.139 0.044 2.891 298 H LEU 43 H LEU 43 -2.764 -1.767 -1.239 299 HA LEU 43 HA LEU 43 -1.614 -4.036 -2.638 300 HB2 LEU 43 1HB LEU 43 -4.062 -3.705 -2.478 301 HB3 LEU 43 2HB LEU 43 -3.906 -2.213 -3.382 302 HG LEU 43 HG LEU 43 -2.838 -3.657 -5.236 303 HD11 LEU 43 1HD1 LEU 43 -3.929 -6.036 -5.123 304 HD12 LEU 43 2HD1 LEU 43 -2.369 -5.717 -4.327 305 HD13 LEU 43 3HD1 LEU 43 -3.865 -5.761 -3.365 306 HD21 LEU 43 1HD2 LEU 43 -5.362 -2.737 -4.825 307 HD22 LEU 43 2HD2 LEU 43 -4.814 -3.567 -6.301 308 HD23 LEU 43 3HD2 LEU 43 -5.664 -4.479 -5.031 309 H VAL 44 H VAL 44 0.257 -3.703 -3.712 310 HA VAL 44 HA VAL 44 1.186 -1.158 -4.402 311 HB VAL 44 HB VAL 44 1.946 -3.911 -5.398 312 HG11 VAL 44 1HG1 VAL 44 3.632 -3.038 -6.610 313 HG12 VAL 44 2HG1 VAL 44 2.677 -1.537 -6.565 314 HG13 VAL 44 3HG1 VAL 44 3.994 -1.790 -5.394 315 HG21 VAL 44 1HG2 VAL 44 3.941 -3.127 -3.719 316 HG22 VAL 44 2HG2 VAL 44 2.531 -2.371 -2.937 317 HG23 VAL 44 3HG2 VAL 44 2.552 -4.127 -3.230 318 H LEU 45 H LEU 45 1.127 0.039 -6.308 319 HA LEU 45 HA LEU 45 -0.598 -1.085 -8.405 320 HB2 LEU 45 1HB LEU 45 -0.507 1.685 -7.230 321 HB3 LEU 45 2HB LEU 45 -1.181 1.372 -8.817 322 HG LEU 45 HG LEU 45 -2.169 -0.154 -6.416 323 HD11 LEU 45 1HD1 LEU 45 -2.374 2.697 -6.790 324 HD12 LEU 45 2HD1 LEU 45 -3.983 1.942 -6.892 325 HD13 LEU 45 3HD1 LEU 45 -2.966 1.679 -5.455 326 HD21 LEU 45 1HD2 LEU 45 -3.054 -1.116 -8.317 327 HD22 LEU 45 2HD2 LEU 45 -4.316 0.062 -7.885 328 HD23 LEU 45 3HD2 LEU 45 -3.161 0.434 -9.187 329 H GLN 46 H GLN 46 2.203 0.991 -7.531 330 HA GLN 46 HA GLN 46 3.296 0.334 -10.125 331 HB2 GLN 46 1HB GLN 46 2.443 3.028 -9.276 332 HB3 GLN 46 2HB GLN 46 4.120 2.984 -9.783 333 HG2 GLN 46 1HG GLN 46 3.589 2.550 -11.979 334 HG3 GLN 46 2HG GLN 46 2.282 1.461 -11.559 335 HE21 GLN 46 1HE2 GLN 46 0.235 2.278 -11.029 336 HE22 GLN 46 2HE2 GLN 46 -0.293 3.849 -11.531 337 H GLN 47 H GLN 47 5.494 -0.119 -10.031 338 HA GLN 47 HA GLN 47 6.718 0.402 -7.436 339 HB2 GLN 47 1HB GLN 47 6.681 -1.970 -9.221 340 HB3 GLN 47 2HB GLN 47 8.268 -1.577 -8.592 341 HG2 GLN 47 1HG GLN 47 7.215 -1.457 -6.260 342 HG3 GLN 47 2HG GLN 47 5.735 -2.077 -6.964 343 HE21 GLN 47 1HE2 GLN 47 9.233 -2.729 -6.883 344 HE22 GLN 47 2HE2 GLN 47 9.135 -4.455 -6.784 345 H GLU 48 H GLU 48 8.365 1.869 -7.424 346 HA GLU 48 HA GLU 48 9.838 2.163 -9.922 347 HB2 GLU 48 1HB GLU 48 8.089 4.063 -9.005 348 HB3 GLU 48 2HB GLU 48 9.557 4.590 -8.207 349 HG2 GLU 48 1HG GLU 48 10.592 4.146 -10.673 350 HG3 GLU 48 2HG GLU 48 8.934 4.457 -11.147 351 H ASP 49 H ASP 49 11.942 1.595 -9.602 352 HA ASP 49 HA ASP 49 13.090 0.813 -7.388 353 HB2 ASP 49 1HB ASP 49 13.977 1.506 -9.927 354 HB3 ASP 49 2HB ASP 49 14.891 2.617 -8.926 355 H GLY 50 H GLY 50 12.862 1.863 -5.379 356 HA2 GLY 50 1HA GLY 50 14.216 3.569 -4.138 357 HA3 GLY 50 2HA GLY 50 13.564 4.734 -5.273 358 H TRP 51 H TRP 51 10.880 3.753 -5.538 359 HA TRP 51 HA TRP 51 9.852 3.735 -2.810 360 HB2 TRP 51 1HB TRP 51 9.383 5.897 -4.837 361 HB3 TRP 51 2HB TRP 51 8.130 5.482 -3.685 362 HD1 TRP 51 HD TRP 51 11.758 6.863 -3.718 363 HE1 TRP 51 1HE TRP 51 12.263 8.229 -1.517 364 HE3 TRP 51 3HE TRP 51 7.377 5.747 -1.391 365 HZ2 TRP 51 2HZ TRP 51 10.807 8.680 0.895 366 HZ3 TRP 51 3HZ TRP 51 6.997 6.690 0.885 367 HH2 TRP 51 HH TRP 51 8.626 8.111 2.026 368 H LEU 52 H LEU 52 7.504 3.078 -2.816 369 HA LEU 52 HA LEU 52 6.794 1.682 -5.297 370 HB2 LEU 52 1HB LEU 52 6.206 0.488 -2.615 371 HB3 LEU 52 2HB LEU 52 6.255 -0.279 -4.189 372 HG LEU 52 HG LEU 52 8.119 -0.978 -2.763 373 HD11 LEU 52 1HD1 LEU 52 8.622 0.476 -5.329 374 HD12 LEU 52 2HD1 LEU 52 10.009 -0.148 -4.404 375 HD13 LEU 52 3HD1 LEU 52 8.732 -1.261 -4.951 376 HD21 LEU 52 1HD2 LEU 52 9.473 0.388 -1.610 377 HD22 LEU 52 2HD2 LEU 52 9.593 1.566 -2.939 378 HD23 LEU 52 3HD2 LEU 52 8.185 1.592 -1.851 379 H TYR 53 H TYR 53 4.619 1.772 -5.874 380 HA TYR 53 HA TYR 53 3.003 3.526 -4.154 381 HB2 TYR 53 1HB TYR 53 3.722 4.174 -6.567 382 HB3 TYR 53 2HB TYR 53 2.812 2.791 -7.140 383 HD1 TYR 53 1HD TYR 53 2.170 5.647 -4.775 384 HD2 TYR 53 2HD TYR 53 0.775 3.330 -8.090 385 HE1 TYR 53 1HE TYR 53 0.069 7.073 -4.897 386 HE2 TYR 53 2HE TYR 53 -1.322 4.764 -8.201 387 HH TYR 53 HH TYR 53 -2.605 6.174 -6.892 388 H GLY 54 H GLY 54 0.845 2.971 -3.672 389 HA2 GLY 54 1HA GLY 54 -0.381 0.641 -4.806 390 HA3 GLY 54 2HA GLY 54 0.230 0.351 -3.190 391 H GLU 55 H GLU 55 -2.310 0.029 -3.054 392 HA GLU 55 HA GLU 55 -3.367 2.606 -2.192 393 HB2 GLU 55 1HB GLU 55 -4.543 2.031 -4.229 394 HB3 GLU 55 2HB GLU 55 -4.794 0.380 -3.699 395 HG2 GLU 55 1HG GLU 55 -5.866 2.118 -1.663 396 HG3 GLU 55 2HG GLU 55 -6.456 2.692 -3.211 397 H ARG 56 H ARG 56 -3.590 2.596 0.000 398 HA ARG 56 HA ARG 56 -3.311 0.345 1.516 399 HB2 ARG 56 1HB ARG 56 -3.226 2.899 2.146 400 HB3 ARG 56 2HB ARG 56 -4.946 2.742 2.440 401 HG2 ARG 56 1HG ARG 56 -4.635 1.188 4.217 402 HG3 ARG 56 2HG ARG 56 -3.016 0.766 3.696 403 HD2 ARG 56 1HD ARG 56 -3.175 2.296 5.762 404 HD3 ARG 56 2HD ARG 56 -2.090 2.830 4.494 405 HE ARG 56 HE ARG 56 -4.410 4.073 3.761 406 HH11 ARG 56 2HH2 ARG 56 -2.760 3.854 6.861 407 HH12 ARG 56 1HH2 ARG 56 -3.339 5.388 7.422 408 HH21 ARG 56 2HH1 ARG 56 -5.174 6.096 4.500 409 HH22 ARG 56 1HH1 ARG 56 -4.722 6.671 6.070 410 H LEU 57 H LEU 57 -4.668 -1.402 1.762 411 HA LEU 57 HA LEU 57 -7.318 -1.333 0.797 412 HB2 LEU 57 1HB LEU 57 -5.720 -3.336 2.382 413 HB3 LEU 57 2HB LEU 57 -7.391 -3.613 1.932 414 HG LEU 57 HG LEU 57 -6.163 -4.734 0.299 415 HD11 LEU 57 1HD1 LEU 57 -6.511 -2.112 -1.136 416 HD12 LEU 57 2HD1 LEU 57 -6.819 -3.768 -1.711 417 HD13 LEU 57 3HD1 LEU 57 -7.915 -3.019 -0.524 418 HD21 LEU 57 1HD2 LEU 57 -4.070 -3.089 1.002 419 HD22 LEU 57 2HD2 LEU 57 -4.055 -4.306 -0.297 420 HD23 LEU 57 3HD2 LEU 57 -4.407 -2.603 -0.677 421 H ARG 58 H ARG 58 -5.862 -0.226 3.707 422 HA ARG 58 HA ARG 58 -7.770 -0.860 5.558 423 HB2 ARG 58 1HB ARG 58 -5.536 0.240 6.005 424 HB3 ARG 58 2HB ARG 58 -6.169 1.742 5.361 425 HG2 ARG 58 1HG ARG 58 -7.396 2.192 7.250 426 HG3 ARG 58 2HG ARG 58 -7.898 0.524 7.446 427 HD2 ARG 58 1HD ARG 58 -5.454 0.045 8.204 428 HD3 ARG 58 2HD ARG 58 -5.261 1.784 8.311 429 HE ARG 58 HE ARG 58 -6.861 0.086 10.095 430 HH11 ARG 58 2HH2 ARG 58 -6.303 3.362 8.939 431 HH12 ARG 58 1HH2 ARG 58 -7.007 4.111 10.334 432 HH21 ARG 58 2HH1 ARG 58 -7.788 1.073 11.936 433 HH22 ARG 58 1HH1 ARG 58 -7.857 2.800 12.050 434 H ASP 59 H ASP 59 -7.404 2.331 3.824 435 HA ASP 59 HA ASP 59 -10.287 2.629 4.134 436 HB2 ASP 59 1HB ASP 59 -8.245 4.331 4.958 437 HB3 ASP 59 2HB ASP 59 -8.685 5.026 3.411 438 H GLY 60 H GLY 60 -7.479 2.505 1.994 439 HA2 GLY 60 1HA GLY 60 -7.910 1.854 -0.292 440 HA3 GLY 60 2HA GLY 60 -9.239 2.997 -0.331 441 H GLU 61 H GLU 61 -6.972 4.536 1.550 442 HA GLU 61 HA GLU 61 -6.435 6.489 -0.249 443 HB2 GLU 61 1HB GLU 61 -5.813 5.950 2.425 444 HB3 GLU 61 2HB GLU 61 -4.235 6.083 1.673 445 HG2 GLU 61 1HG GLU 61 -5.704 8.211 0.545 446 HG3 GLU 61 2HG GLU 61 -6.222 8.184 2.219 447 H THR 62 H THR 62 -5.139 6.680 -2.031 448 HA THR 62 HA THR 62 -3.133 4.566 -2.427 449 HB THR 62 HB THR 62 -4.243 6.399 -4.581 450 HG1 THR 62 1HG THR 62 -5.916 4.604 -4.694 451 HG21 THR 62 1HG2 THR 62 -2.581 4.845 -5.405 452 HG22 THR 62 2HG2 THR 62 -3.234 3.520 -4.411 453 HG23 THR 62 3HG2 THR 62 -4.156 4.120 -5.810 454 H GLY 63 H GLY 63 -1.112 5.104 -1.920 455 HA2 GLY 63 1HA GLY 63 -0.130 7.713 -2.825 456 HA3 GLY 63 2HA GLY 63 -0.005 7.332 -1.119 457 H TRP 64 H TRP 64 2.396 7.704 -1.929 458 HA TRP 64 HA TRP 64 3.462 5.229 -3.064 459 HB2 TRP 64 1HB TRP 64 4.521 8.029 -2.784 460 HB3 TRP 64 2HB TRP 64 5.601 6.679 -3.073 461 HD1 TRP 64 HD TRP 64 2.772 8.641 -4.828 462 HE1 TRP 64 1HE TRP 64 2.801 8.224 -7.434 463 HE3 TRP 64 3HE TRP 64 6.326 5.006 -4.737 464 HZ2 TRP 64 2HZ TRP 64 4.274 6.461 -9.126 465 HZ3 TRP 64 3HZ TRP 64 7.003 3.989 -6.910 466 HH2 TRP 64 HH TRP 64 6.039 4.661 -9.053 467 H PHE 65 H PHE 65 4.204 3.703 -1.655 468 HA PHE 65 HA PHE 65 5.003 4.654 1.006 469 HB2 PHE 65 1HB PHE 65 4.141 2.510 1.801 470 HB3 PHE 65 2HB PHE 65 2.932 3.123 0.691 471 HD1 PHE 65 2HD PHE 65 5.946 0.925 0.726 472 HD2 PHE 65 1HD PHE 65 2.152 1.738 -0.992 473 HE1 PHE 65 2HE PHE 65 6.095 -1.196 -0.609 474 HE2 PHE 65 1HE PHE 65 2.301 -0.382 -2.326 475 HZ PHE 65 HZ PHE 65 4.271 -1.824 -2.119 476 HA PRO 66 HA PRO 66 8.914 3.013 0.079 477 HB2 PRO 66 1HB PRO 66 10.027 3.056 2.575 478 HB3 PRO 66 2HB PRO 66 9.942 4.467 1.539 479 HG2 PRO 66 1HG PRO 66 8.320 3.818 3.923 480 HG3 PRO 66 2HG PRO 66 8.549 5.369 3.140 481 HD2 PRO 66 1HD PRO 66 6.243 3.674 2.949 482 HD3 PRO 66 2HD PRO 66 6.521 5.168 2.077 483 H GLU 67 H GLU 67 10.185 1.138 0.040 484 HA GLU 67 HA GLU 67 8.629 -1.106 0.803 485 HB2 GLU 67 1HB GLU 67 10.766 -2.336 -0.061 486 HB3 GLU 67 2HB GLU 67 9.794 -1.436 -1.208 487 HG2 GLU 67 1HG GLU 67 11.428 0.138 -1.563 488 HG3 GLU 67 2HG GLU 67 11.869 0.213 0.132 489 H ASP 68 H ASP 68 11.515 0.621 2.018 490 HA ASP 68 HA ASP 68 12.554 -1.251 3.668 491 HB2 ASP 68 1HB ASP 68 12.215 1.754 4.062 492 HB3 ASP 68 2HB ASP 68 13.180 0.772 5.146 493 H PHE 69 H PHE 69 9.590 0.710 3.963 494 HA PHE 69 HA PHE 69 9.157 -0.372 6.653 495 HB2 PHE 69 1HB PHE 69 7.726 1.880 5.125 496 HB3 PHE 69 2HB PHE 69 7.580 1.549 6.840 497 HD1 PHE 69 2HD PHE 69 10.745 0.991 6.941 498 HD2 PHE 69 1HD PHE 69 8.288 4.215 5.684 499 HE1 PHE 69 2HE PHE 69 12.614 2.598 7.411 500 HE2 PHE 69 1HE PHE 69 10.158 5.822 6.153 501 HZ PHE 69 HZ PHE 69 12.299 4.995 7.011 502 H ALA 70 H ALA 70 8.808 -1.979 4.214 503 HA ALA 70 HA ALA 70 6.035 -2.675 4.653 504 HB1 ALA 70 1HB ALA 70 7.046 -1.336 2.209 505 HB2 ALA 70 2HB ALA 70 6.104 -2.817 1.915 506 HB3 ALA 70 3HB ALA 70 5.386 -1.473 2.836 507 H ARG 71 H ARG 71 5.581 -4.880 4.006 508 HA ARG 71 HA ARG 71 8.030 -6.339 3.411 509 HB2 ARG 71 1HB ARG 71 5.972 -6.722 5.532 510 HB3 ARG 71 2HB ARG 71 6.395 -8.196 4.682 511 HG2 ARG 71 1HG ARG 71 8.885 -7.453 5.073 512 HG3 ARG 71 2HG ARG 71 8.221 -6.351 6.262 513 HD2 ARG 71 1HD ARG 71 7.665 -9.356 6.261 514 HD3 ARG 71 2HD ARG 71 8.950 -8.612 7.193 515 HE ARG 71 HE ARG 71 6.412 -7.297 7.694 516 HH11 ARG 71 2HH2 ARG 71 8.292 -10.161 8.499 517 HH12 ARG 71 1HH2 ARG 71 7.511 -10.401 10.026 518 HH21 ARG 71 2HH1 ARG 71 5.381 -7.614 9.709 519 HH22 ARG 71 1HH1 ARG 71 5.844 -8.943 10.719 520 H PHE 72 H PHE 72 7.833 -6.985 1.277 521 HA PHE 72 HA PHE 72 5.476 -7.165 -0.122 522 HB2 PHE 72 1HB PHE 72 8.318 -8.146 -0.283 523 HB3 PHE 72 2HB PHE 72 7.195 -9.023 -1.303 524 HD1 PHE 72 2HD PHE 72 6.014 -7.866 -3.130 525 HD2 PHE 72 1HD PHE 72 8.929 -5.873 -0.777 526 HE1 PHE 72 2HE PHE 72 6.177 -6.058 -4.863 527 HE2 PHE 72 1HE PHE 72 9.092 -4.065 -2.510 528 HZ PHE 72 HZ PHE 72 7.714 -4.179 -4.533 529 H ILE 73 H ILE 73 3.742 -8.364 0.597 530 HA ILE 73 HA ILE 73 3.988 -10.773 1.983 531 HB ILE 73 HB ILE 73 1.684 -9.634 0.398 532 HG12 ILE 73 1HG1 ILE 73 2.263 -9.466 3.369 533 HG13 ILE 73 2HG1 ILE 73 2.605 -8.185 2.222 534 HG21 ILE 73 1HG2 ILE 73 1.914 -12.022 2.199 535 HG22 ILE 73 2HG2 ILE 73 0.398 -11.091 2.142 536 HG23 ILE 73 3HG2 ILE 73 1.043 -11.833 0.658 537 HD11 ILE 73 1HD1 ILE 73 0.127 -8.301 1.533 538 HD12 ILE 73 2HD1 ILE 73 -0.114 -9.342 2.956 539 HD13 ILE 73 3HD1 ILE 73 0.458 -7.669 3.164 540 H SER 74 H SER 74 2.995 -10.183 -1.468 541 HA SER 74 HA SER 74 4.308 -12.693 -2.089 542 HB2 SER 74 1HB SER 74 1.697 -12.858 -1.779 543 HB3 SER 74 2HB SER 74 1.619 -12.042 -3.328 544 HG SER 74 HG SER 74 3.438 -14.137 -3.388 545 H GLY 75 H GLY 75 5.769 -12.287 -3.706 546 HA2 GLY 75 1HA GLY 75 5.007 -10.411 -5.834 547 HA3 GLY 75 2HA GLY 75 6.475 -10.107 -4.927 548 HA PRO 76 HA PRO 76 7.804 -12.828 -8.234 549 HB2 PRO 76 1HB PRO 76 10.158 -11.549 -8.774 550 HB3 PRO 76 2HB PRO 76 8.656 -11.182 -9.599 551 HG2 PRO 76 1HG PRO 76 10.044 -9.631 -7.500 552 HG3 PRO 76 2HG PRO 76 8.806 -9.099 -8.620 553 HD2 PRO 76 1HD PRO 76 8.455 -9.719 -5.841 554 HD3 PRO 76 2HD PRO 76 7.198 -9.300 -6.988 555 H SER 77 H SER 77 7.785 -14.368 -6.415 556 HA SER 77 HA SER 77 8.822 -15.853 -5.221 557 HB2 SER 77 1HB SER 77 11.382 -14.994 -6.641 558 HB3 SER 77 2HB SER 77 11.143 -16.501 -5.780 559 HG SER 77 HG SER 77 9.178 -16.053 -7.712 560 H SER 78 H SER 78 9.908 -16.058 -3.167 561 HA SER 78 HA SER 78 11.352 -13.694 -2.313 562 HB2 SER 78 1HB SER 78 9.173 -13.214 -1.458 563 HB3 SER 78 2HB SER 78 8.889 -14.880 -0.994 564 HG SER 78 HG SER 78 9.403 -13.871 0.918 565 H GLY 79 H GLY 79 12.803 -14.115 -0.465 566 HA2 GLY 79 1HA GLY 79 13.114 -16.949 0.253 567 HA3 GLY 79 2HA GLY 79 14.466 -16.097 -0.466 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -11.240 0.548 0.899 2 HA2 GLY 1 1HA GLY 1 -12.882 2.962 1.331 3 HA3 GLY 1 2HA GLY 1 -11.510 2.987 0.241 4 H SER 2 H SER 2 -13.385 3.624 -1.286 5 HA SER 2 HA SER 2 -14.800 1.247 -2.170 6 HB2 SER 2 1HB SER 2 -15.785 3.734 -1.677 7 HB3 SER 2 2HB SER 2 -15.380 3.931 -3.370 8 HG SER 2 HG SER 2 -17.600 3.104 -2.873 9 H SER 3 H SER 3 -12.813 0.359 -3.182 10 HA SER 3 HA SER 3 -11.144 1.533 -4.862 11 HB2 SER 3 1HB SER 3 -12.439 -1.162 -5.455 12 HB3 SER 3 2HB SER 3 -10.845 -0.639 -5.960 13 HG SER 3 HG SER 3 -11.029 -2.061 -3.968 14 H GLY 4 H GLY 4 -14.297 0.028 -5.899 15 HA2 GLY 4 1HA GLY 4 -15.618 1.627 -7.335 16 HA3 GLY 4 2HA GLY 4 -14.181 1.699 -8.334 17 H SER 5 H SER 5 -15.153 0.769 -10.195 18 HA SER 5 HA SER 5 -15.944 -2.013 -9.817 19 HB2 SER 5 1HB SER 5 -16.963 0.160 -11.647 20 HB3 SER 5 2HB SER 5 -17.065 -1.504 -12.187 21 HG SER 5 HG SER 5 -18.255 -2.009 -10.222 22 H SER 6 H SER 6 -14.540 -3.496 -10.684 23 HA SER 6 HA SER 6 -12.332 -2.589 -12.167 24 HB2 SER 6 1HB SER 6 -11.710 -4.987 -12.255 25 HB3 SER 6 2HB SER 6 -12.171 -4.505 -10.635 26 HG SER 6 HG SER 6 -14.326 -5.429 -12.174 27 H GLY 7 H GLY 7 -11.699 -3.614 -14.350 28 HA2 GLY 7 1HA GLY 7 -13.960 -3.341 -16.165 29 HA3 GLY 7 2HA GLY 7 -12.256 -3.387 -16.573 30 H TRP 8 H TRP 8 -11.102 -5.577 -16.143 31 HA TRP 8 HA TRP 8 -12.972 -7.728 -16.869 32 HB2 TRP 8 1HB TRP 8 -10.787 -6.733 -18.292 33 HB3 TRP 8 2HB TRP 8 -10.193 -8.208 -17.556 34 HD1 TRP 8 HD TRP 8 -11.588 -10.531 -18.239 35 HE1 TRP 8 1HE TRP 8 -12.915 -11.242 -20.406 36 HE3 TRP 8 3HE TRP 8 -12.194 -5.818 -20.052 37 HZ2 TRP 8 2HZ TRP 8 -14.044 -9.787 -22.586 38 HZ3 TRP 8 3HZ TRP 8 -13.421 -5.551 -22.205 39 HH2 TRP 8 HH TRP 8 -14.331 -7.440 -23.462 40 H GLN 9 H GLN 9 -11.811 -9.977 -16.274 41 HA GLN 9 HA GLN 9 -11.594 -9.939 -13.489 42 HB2 GLN 9 1HB GLN 9 -12.495 -11.852 -14.812 43 HB3 GLN 9 2HB GLN 9 -10.898 -12.154 -15.469 44 HG2 GLN 9 1HG GLN 9 -11.027 -11.997 -12.488 45 HG3 GLN 9 2HG GLN 9 -11.885 -13.351 -13.196 46 HE21 GLN 9 1HE2 GLN 9 -10.760 -14.786 -14.615 47 HE22 GLN 9 2HE2 GLN 9 -9.055 -15.045 -14.456 48 H GLY 10 H GLY 10 -9.158 -10.917 -16.018 49 HA2 GLY 10 1HA GLY 10 -7.048 -9.996 -14.157 50 HA3 GLY 10 2HA GLY 10 -6.916 -11.458 -15.114 51 H LEU 11 H LEU 11 -6.484 -11.350 -17.373 52 HA LEU 11 HA LEU 11 -5.792 -10.473 -19.281 53 HB2 LEU 11 1HB LEU 11 -7.587 -8.448 -18.254 54 HB3 LEU 11 2HB LEU 11 -6.284 -7.718 -19.172 55 HG LEU 11 HG LEU 11 -7.805 -10.041 -20.327 56 HD11 LEU 11 1HD1 LEU 11 -9.726 -8.936 -20.361 57 HD12 LEU 11 2HD1 LEU 11 -8.976 -7.516 -19.594 58 HD13 LEU 11 3HD1 LEU 11 -8.952 -7.687 -21.366 59 HD21 LEU 11 1HD2 LEU 11 -6.010 -9.556 -21.693 60 HD22 LEU 11 2HD2 LEU 11 -7.301 -8.576 -22.428 61 HD23 LEU 11 3HD2 LEU 11 -6.093 -7.807 -21.370 62 H SER 12 H SER 12 -4.117 -8.830 -20.191 63 HA SER 12 HA SER 12 -1.922 -8.951 -18.437 64 HB2 SER 12 1HB SER 12 -1.882 -9.155 -20.984 65 HB3 SER 12 2HB SER 12 -2.125 -7.422 -21.065 66 HG SER 12 HG SER 12 -0.083 -7.052 -20.437 67 H SER 13 H SER 13 -0.624 -7.109 -17.650 68 HA SER 13 HA SER 13 -0.346 -5.191 -16.675 69 HB2 SER 13 1HB SER 13 -2.355 -4.200 -18.742 70 HB3 SER 13 2HB SER 13 -1.495 -3.130 -17.653 71 HG SER 13 HG SER 13 0.532 -4.128 -18.545 72 H LYS 14 H LYS 14 -1.048 -4.577 -14.648 73 HA LYS 14 HA LYS 14 -2.357 -4.468 -12.867 74 HB2 LYS 14 1HB LYS 14 -3.488 -2.807 -14.902 75 HB3 LYS 14 2HB LYS 14 -4.807 -3.504 -13.984 76 HG2 LYS 14 1HG LYS 14 -4.149 -2.491 -11.983 77 HG3 LYS 14 2HG LYS 14 -2.452 -2.468 -12.421 78 HD2 LYS 14 1HD LYS 14 -4.296 -0.800 -14.108 79 HD3 LYS 14 2HD LYS 14 -4.020 -0.246 -12.468 80 HE2 LYS 14 1HE LYS 14 -1.978 0.556 -13.041 81 HE3 LYS 14 2HE LYS 14 -1.470 -1.035 -13.574 82 HZ1 LYS 14 1HZ LYS 14 -3.168 0.626 -15.276 83 HZ2 LYS 14 2HZ LYS 14 -1.547 0.829 -15.263 84 HZ3 LYS 14 3HZ LYS 14 -2.186 -0.606 -15.708 85 H GLY 15 H GLY 15 -2.324 -6.819 -12.654 86 HA2 GLY 15 1HA GLY 15 -4.952 -8.022 -13.297 87 HA3 GLY 15 2HA GLY 15 -3.433 -8.894 -13.364 88 H ASP 16 H ASP 16 -2.106 -8.967 -11.264 89 HA ASP 16 HA ASP 16 -3.904 -8.874 -8.978 90 HB2 ASP 16 1HB ASP 16 -1.818 -11.038 -9.515 91 HB3 ASP 16 2HB ASP 16 -2.903 -10.974 -8.141 92 H LEU 17 H LEU 17 -2.488 -6.688 -9.141 93 HA LEU 17 HA LEU 17 0.162 -6.500 -8.812 94 HB2 LEU 17 1HB LEU 17 -2.150 -4.965 -7.721 95 HB3 LEU 17 2HB LEU 17 -0.549 -4.587 -7.116 96 HG LEU 17 HG LEU 17 -1.555 -3.283 -9.147 97 HD11 LEU 17 1HD1 LEU 17 1.285 -4.217 -9.505 98 HD12 LEU 17 2HD1 LEU 17 0.586 -2.600 -9.757 99 HD13 LEU 17 3HD1 LEU 17 0.805 -3.227 -8.106 100 HD21 LEU 17 1HD2 LEU 17 -0.384 -5.693 -10.565 101 HD22 LEU 17 2HD2 LEU 17 -2.109 -5.258 -10.488 102 HD23 LEU 17 3HD2 LEU 17 -0.958 -4.192 -11.330 103 HA PRO 18 HA PRO 18 1.253 -8.435 -5.113 104 HB2 PRO 18 1HB PRO 18 3.555 -7.119 -4.451 105 HB3 PRO 18 2HB PRO 18 3.489 -8.388 -5.657 106 HG2 PRO 18 1HG PRO 18 3.721 -5.467 -6.050 107 HG3 PRO 18 2HG PRO 18 4.076 -6.759 -7.180 108 HD2 PRO 18 1HD PRO 18 1.756 -5.072 -7.175 109 HD3 PRO 18 2HD PRO 18 2.057 -6.437 -8.232 110 H GLN 19 H GLN 19 1.866 -8.147 -2.734 111 HA GLN 19 HA GLN 19 0.686 -5.653 -1.830 112 HB2 GLN 19 1HB GLN 19 -0.188 -8.459 -1.079 113 HB3 GLN 19 2HB GLN 19 -0.435 -7.124 0.029 114 HG2 GLN 19 1HG GLN 19 -1.302 -6.211 -2.545 115 HG3 GLN 19 2HG GLN 19 -1.961 -7.823 -2.342 116 HE21 GLN 19 1HE2 GLN 19 -3.057 -8.305 -0.294 117 HE22 GLN 19 2HE2 GLN 19 -4.006 -7.075 0.471 118 H VAL 20 H VAL 20 1.595 -4.828 0.101 119 HA VAL 20 HA VAL 20 3.694 -6.496 1.294 120 HB VAL 20 HB VAL 20 5.167 -4.627 1.389 121 HG11 VAL 20 1HG1 VAL 20 4.721 -5.968 -0.846 122 HG12 VAL 20 2HG1 VAL 20 4.180 -4.377 -1.431 123 HG13 VAL 20 3HG1 VAL 20 5.837 -4.582 -0.813 124 HG21 VAL 20 1HG2 VAL 20 3.325 -2.920 1.732 125 HG22 VAL 20 2HG2 VAL 20 4.661 -2.411 0.671 126 HG23 VAL 20 3HG2 VAL 20 3.107 -2.919 -0.035 127 H GLU 21 H GLU 21 3.728 -6.518 3.522 128 HA GLU 21 HA GLU 21 1.554 -5.064 4.752 129 HB2 GLU 21 1HB GLU 21 1.735 -7.502 5.160 130 HB3 GLU 21 2HB GLU 21 3.342 -7.291 5.825 131 HG2 GLU 21 1HG GLU 21 2.477 -5.963 7.689 132 HG3 GLU 21 2HG GLU 21 0.879 -5.902 6.972 133 H ILE 22 H ILE 22 1.954 -3.122 5.711 134 HA ILE 22 HA ILE 22 4.554 -2.141 6.035 135 HB ILE 22 HB ILE 22 1.975 -1.188 7.284 136 HG12 ILE 22 1HG1 ILE 22 1.743 -1.428 4.864 137 HG13 ILE 22 2HG1 ILE 22 1.746 0.259 5.339 138 HG21 ILE 22 1HG2 ILE 22 4.730 -0.177 7.309 139 HG22 ILE 22 2HG2 ILE 22 3.524 1.018 6.775 140 HG23 ILE 22 3HG2 ILE 22 3.345 0.218 8.355 141 HD11 ILE 22 1HD1 ILE 22 4.108 0.494 4.684 142 HD12 ILE 22 2HD1 ILE 22 4.197 -1.244 4.311 143 HD13 ILE 22 3HD1 ILE 22 3.171 -0.174 3.326 144 H THR 23 H THR 23 6.012 -2.231 7.691 145 HA THR 23 HA THR 23 5.306 -3.966 9.916 146 HB THR 23 HB THR 23 7.785 -3.892 10.285 147 HG1 THR 23 1HG THR 23 8.247 -1.759 9.583 148 HG21 THR 23 1HG2 THR 23 6.506 -4.943 7.963 149 HG22 THR 23 2HG2 THR 23 7.955 -4.095 7.372 150 HG23 THR 23 3HG2 THR 23 8.113 -5.387 8.586 151 H LYS 24 H LYS 24 6.453 -0.591 9.330 152 HA LYS 24 HA LYS 24 5.526 -0.010 12.057 153 HB2 LYS 24 1HB LYS 24 7.297 1.683 12.207 154 HB3 LYS 24 2HB LYS 24 7.949 0.069 12.003 155 HG2 LYS 24 1HG LYS 24 7.637 0.956 9.362 156 HG3 LYS 24 2HG LYS 24 8.135 2.409 10.206 157 HD2 LYS 24 1HD LYS 24 10.217 1.522 10.814 158 HD3 LYS 24 2HD LYS 24 9.639 -0.132 10.809 159 HE2 LYS 24 1HE LYS 24 9.579 -0.171 8.353 160 HE3 LYS 24 2HE LYS 24 9.948 1.540 8.272 161 HZ1 LYS 24 1HZ LYS 24 11.879 0.260 9.824 162 HZ2 LYS 24 2HZ LYS 24 11.729 -0.550 8.414 163 HZ3 LYS 24 3HZ LYS 24 12.072 1.047 8.407 164 H ALA 25 H ALA 25 4.514 2.077 12.364 165 HA ALA 25 HA ALA 25 2.805 2.760 10.255 166 HB1 ALA 25 1HB ALA 25 1.772 3.526 12.102 167 HB2 ALA 25 2HB ALA 25 3.285 3.478 13.038 168 HB3 ALA 25 3HB ALA 25 2.886 4.914 12.066 169 H PHE 26 H PHE 26 3.090 4.055 8.506 170 HA PHE 26 HA PHE 26 5.545 5.642 8.456 171 HB2 PHE 26 1HB PHE 26 5.154 3.929 6.667 172 HB3 PHE 26 2HB PHE 26 3.568 4.600 6.341 173 HD1 PHE 26 2HD PHE 26 6.781 6.411 6.841 174 HD2 PHE 26 1HD PHE 26 3.712 5.307 4.126 175 HE1 PHE 26 2HE PHE 26 7.778 7.920 5.101 176 HE2 PHE 26 1HE PHE 26 4.709 6.817 2.385 177 HZ PHE 26 HZ PHE 26 6.730 8.105 2.894 178 H PHE 27 H PHE 27 5.501 7.858 8.329 179 HA PHE 27 HA PHE 27 2.835 9.060 8.285 180 HB2 PHE 27 1HB PHE 27 5.639 9.907 9.211 181 HB3 PHE 27 2HB PHE 27 4.309 11.047 9.163 182 HD1 PHE 27 2HD PHE 27 2.424 10.826 10.718 183 HD2 PHE 27 1HD PHE 27 5.749 8.196 10.909 184 HE1 PHE 27 2HE PHE 27 1.718 10.099 13.015 185 HE2 PHE 27 1HE PHE 27 5.043 7.469 13.206 186 HZ PHE 27 HZ PHE 27 3.035 8.429 14.231 187 H ALA 28 H ALA 28 2.207 9.711 6.275 188 HA ALA 28 HA ALA 28 4.175 10.379 4.298 189 HB1 ALA 28 1HB ALA 28 2.207 9.185 3.601 190 HB2 ALA 28 2HB ALA 28 1.135 10.379 4.372 191 HB3 ALA 28 3HB ALA 28 2.082 10.830 2.934 192 H LYS 29 H LYS 29 5.097 12.347 4.043 193 HA LYS 29 HA LYS 29 3.845 14.589 5.423 194 HB2 LYS 29 1HB LYS 29 5.975 15.646 5.340 195 HB3 LYS 29 2HB LYS 29 6.238 13.992 5.854 196 HG2 LYS 29 1HG LYS 29 6.328 14.366 2.904 197 HG3 LYS 29 2HG LYS 29 7.576 15.241 3.769 198 HD2 LYS 29 1HD LYS 29 7.524 12.700 5.007 199 HD3 LYS 29 2HD LYS 29 7.316 12.352 3.303 200 HE2 LYS 29 1HE LYS 29 9.511 12.766 2.908 201 HE3 LYS 29 2HE LYS 29 9.354 14.388 3.553 202 HZ1 LYS 29 1HZ LYS 29 10.897 13.256 4.874 203 HZ2 LYS 29 2HZ LYS 29 9.545 13.344 5.785 204 HZ3 LYS 29 3HZ LYS 29 9.947 11.940 5.054 205 H GLN 30 H GLN 30 4.588 13.281 2.214 206 HA GLN 30 HA GLN 30 3.821 15.796 1.015 207 HB2 GLN 30 1HB GLN 30 5.002 13.218 -0.073 208 HB3 GLN 30 2HB GLN 30 4.365 14.448 -1.147 209 HG2 GLN 30 1HG GLN 30 5.980 15.888 0.671 210 HG3 GLN 30 2HG GLN 30 6.888 14.422 0.359 211 HE21 GLN 30 1HE2 GLN 30 7.508 13.885 -1.750 212 HE22 GLN 30 2HE2 GLN 30 7.615 15.063 -3.016 213 H ALA 31 H ALA 31 2.157 15.791 -0.767 214 HA ALA 31 HA ALA 31 -0.170 14.415 0.134 215 HB1 ALA 31 1HB ALA 31 -1.307 15.787 -1.411 216 HB2 ALA 31 2HB ALA 31 0.078 16.783 -0.903 217 HB3 ALA 31 3HB ALA 31 0.118 15.936 -2.468 218 H ASP 32 H ASP 32 2.507 13.452 -1.681 219 HA ASP 32 HA ASP 32 0.959 11.830 -3.490 220 HB2 ASP 32 1HB ASP 32 3.419 11.047 -4.078 221 HB3 ASP 32 2HB ASP 32 2.849 12.615 -4.614 222 H GLU 33 H GLU 33 2.821 11.721 -0.468 223 HA GLU 33 HA GLU 33 3.175 8.910 -0.500 224 HB2 GLU 33 1HB GLU 33 3.551 11.074 1.596 225 HB3 GLU 33 2HB GLU 33 3.755 9.381 1.999 226 HG2 GLU 33 1HG GLU 33 5.523 9.120 0.329 227 HG3 GLU 33 2HG GLU 33 5.219 10.719 -0.320 228 H VAL 34 H VAL 34 2.356 7.656 1.619 229 HA VAL 34 HA VAL 34 -0.371 8.471 2.253 230 HB VAL 34 HB VAL 34 -0.776 7.071 0.416 231 HG11 VAL 34 1HG1 VAL 34 1.725 5.910 1.060 232 HG12 VAL 34 2HG1 VAL 34 0.525 4.597 1.114 233 HG13 VAL 34 3HG1 VAL 34 0.697 5.586 -0.356 234 HG21 VAL 34 1HG2 VAL 34 -2.121 5.408 1.334 235 HG22 VAL 34 2HG2 VAL 34 -0.964 5.044 2.637 236 HG23 VAL 34 3HG2 VAL 34 -1.928 6.539 2.694 237 H THR 35 H THR 35 -0.787 8.230 4.402 238 HA THR 35 HA THR 35 1.311 7.181 6.055 239 HB THR 35 HB THR 35 -1.481 8.277 6.684 240 HG1 THR 35 1HG THR 35 -0.224 10.237 6.869 241 HG21 THR 35 1HG2 THR 35 0.930 8.476 8.496 242 HG22 THR 35 2HG2 THR 35 -0.798 8.483 8.922 243 HG23 THR 35 3HG2 THR 35 0.007 6.954 8.495 244 H LEU 36 H LEU 36 1.546 5.199 6.891 245 HA LEU 36 HA LEU 36 -0.800 3.439 6.710 246 HB2 LEU 36 1HB LEU 36 2.004 2.409 6.522 247 HB3 LEU 36 2HB LEU 36 0.506 1.666 5.997 248 HG LEU 36 HG LEU 36 1.210 4.188 4.612 249 HD11 LEU 36 1HD1 LEU 36 2.727 1.794 3.675 250 HD12 LEU 36 2HD1 LEU 36 3.081 3.529 3.488 251 HD13 LEU 36 3HD1 LEU 36 3.379 2.723 5.047 252 HD21 LEU 36 1HD2 LEU 36 -0.499 3.318 3.459 253 HD22 LEU 36 2HD2 LEU 36 0.731 2.263 2.722 254 HD23 LEU 36 3HD2 LEU 36 -0.231 1.680 4.101 255 H GLN 37 H GLN 37 -0.238 1.365 8.231 256 HA GLN 37 HA GLN 37 0.878 2.435 10.693 257 HB2 GLN 37 1HB GLN 37 -1.849 1.159 10.310 258 HB3 GLN 37 2HB GLN 37 -1.050 1.124 11.869 259 HG2 GLN 37 1HG GLN 37 -1.392 3.733 10.341 260 HG3 GLN 37 2HG GLN 37 -2.675 3.107 11.358 261 HE21 GLN 37 1HE2 GLN 37 -1.183 5.535 11.669 262 HE22 GLN 37 2HE2 GLN 37 -0.374 5.486 13.200 263 H GLN 38 H GLN 38 1.401 0.640 12.306 264 HA GLN 38 HA GLN 38 2.945 -1.263 11.073 265 HB2 GLN 38 1HB GLN 38 3.344 -0.534 13.371 266 HB3 GLN 38 2HB GLN 38 1.796 -1.167 13.895 267 HG2 GLN 38 1HG GLN 38 3.219 -3.302 12.570 268 HG3 GLN 38 2HG GLN 38 4.320 -2.551 13.708 269 HE21 GLN 38 1HE2 GLN 38 4.334 -4.270 15.097 270 HE22 GLN 38 2HE2 GLN 38 3.001 -4.707 16.113 271 H ALA 39 H ALA 39 2.496 -3.197 10.101 272 HA ALA 39 HA ALA 39 1.460 -5.089 9.582 273 HB1 ALA 39 1HB ALA 39 0.624 -4.605 12.303 274 HB2 ALA 39 2HB ALA 39 -0.733 -5.297 11.382 275 HB3 ALA 39 3HB ALA 39 0.824 -6.156 11.452 276 H ASP 40 H ASP 40 0.908 -2.814 8.140 277 HA ASP 40 HA ASP 40 -1.983 -2.972 7.797 278 HB2 ASP 40 1HB ASP 40 0.040 -0.760 7.382 279 HB3 ASP 40 2HB ASP 40 -1.418 -0.757 6.409 280 H VAL 41 H VAL 41 -2.740 -3.588 5.715 281 HA VAL 41 HA VAL 41 -0.667 -4.426 3.846 282 HB VAL 41 HB VAL 41 -3.598 -5.055 4.176 283 HG11 VAL 41 1HG1 VAL 41 -1.736 -5.732 1.889 284 HG12 VAL 41 2HG1 VAL 41 -3.179 -6.704 2.267 285 HG13 VAL 41 3HG1 VAL 41 -3.352 -4.989 1.825 286 HG21 VAL 41 1HG2 VAL 41 -1.942 -7.363 4.013 287 HG22 VAL 41 2HG2 VAL 41 -1.165 -6.226 5.141 288 HG23 VAL 41 3HG2 VAL 41 -2.845 -6.746 5.417 289 H VAL 42 H VAL 42 -0.463 -3.596 1.765 290 HA VAL 42 HA VAL 42 -2.389 -1.532 1.002 291 HB VAL 42 HB VAL 42 0.611 -1.257 1.181 292 HG11 VAL 42 1HG1 VAL 42 0.262 0.989 0.098 293 HG12 VAL 42 2HG1 VAL 42 0.036 -0.405 -0.985 294 HG13 VAL 42 3HG1 VAL 42 -1.380 0.456 -0.336 295 HG21 VAL 42 1HG2 VAL 42 0.264 0.146 2.907 296 HG22 VAL 42 2HG2 VAL 42 -1.144 0.910 2.132 297 HG23 VAL 42 3HG2 VAL 42 -1.337 -0.626 3.010 298 H LEU 43 H LEU 43 -2.947 -1.605 -1.151 299 HA LEU 43 HA LEU 43 -1.830 -3.816 -2.643 300 HB2 LEU 43 1HB LEU 43 -4.279 -3.377 -2.424 301 HB3 LEU 43 2HB LEU 43 -4.062 -1.915 -3.367 302 HG LEU 43 HG LEU 43 -3.112 -3.401 -5.214 303 HD11 LEU 43 1HD1 LEU 43 -2.608 -5.472 -4.467 304 HD12 LEU 43 2HD1 LEU 43 -3.865 -5.450 -3.207 305 HD13 LEU 43 3HD1 LEU 43 -4.305 -5.793 -4.898 306 HD21 LEU 43 1HD2 LEU 43 -5.736 -4.383 -5.334 307 HD22 LEU 43 2HD2 LEU 43 -5.837 -2.859 -4.421 308 HD23 LEU 43 3HD2 LEU 43 -5.103 -2.877 -6.042 309 H VAL 44 H VAL 44 0.027 -3.511 -3.747 310 HA VAL 44 HA VAL 44 0.963 -0.936 -4.409 311 HB VAL 44 HB VAL 44 1.800 -3.674 -5.388 312 HG11 VAL 44 1HG1 VAL 44 3.745 -2.751 -6.246 313 HG12 VAL 44 2HG1 VAL 44 2.545 -1.499 -6.648 314 HG13 VAL 44 3HG1 VAL 44 3.620 -1.284 -5.246 315 HG21 VAL 44 1HG2 VAL 44 3.681 -3.111 -3.614 316 HG22 VAL 44 2HG2 VAL 44 2.396 -2.103 -2.905 317 HG23 VAL 44 3HG2 VAL 44 2.140 -3.851 -3.118 318 H LEU 45 H LEU 45 1.131 0.106 -6.455 319 HA LEU 45 HA LEU 45 -0.629 -1.038 -8.509 320 HB2 LEU 45 1HB LEU 45 -0.454 1.839 -7.604 321 HB3 LEU 45 2HB LEU 45 -1.297 1.298 -9.043 322 HG LEU 45 HG LEU 45 -2.064 -0.023 -6.489 323 HD11 LEU 45 1HD1 LEU 45 -2.843 1.746 -5.377 324 HD12 LEU 45 2HD1 LEU 45 -1.803 2.727 -6.437 325 HD13 LEU 45 3HD1 LEU 45 -3.518 2.486 -6.848 326 HD21 LEU 45 1HD2 LEU 45 -3.055 -0.454 -8.796 327 HD22 LEU 45 2HD2 LEU 45 -4.200 -0.143 -7.469 328 HD23 LEU 45 3HD2 LEU 45 -3.830 1.142 -8.643 329 H GLN 46 H GLN 46 2.191 1.020 -7.654 330 HA GLN 46 HA GLN 46 3.301 0.273 -10.223 331 HB2 GLN 46 1HB GLN 46 2.677 3.041 -9.303 332 HB3 GLN 46 2HB GLN 46 4.270 2.830 -10.003 333 HG2 GLN 46 1HG GLN 46 3.421 2.636 -12.105 334 HG3 GLN 46 2HG GLN 46 2.262 1.422 -11.601 335 HE21 GLN 46 1HE2 GLN 46 0.227 1.929 -11.799 336 HE22 GLN 46 2HE2 GLN 46 -0.472 3.514 -11.787 337 H GLN 47 H GLN 47 5.300 -0.612 -9.918 338 HA GLN 47 HA GLN 47 6.557 -0.068 -7.362 339 HB2 GLN 47 1HB GLN 47 6.474 -2.373 -9.238 340 HB3 GLN 47 2HB GLN 47 8.048 -2.080 -8.526 341 HG2 GLN 47 1HG GLN 47 7.239 -2.362 -6.300 342 HG3 GLN 47 2HG GLN 47 5.571 -2.103 -6.772 343 HE21 GLN 47 1HE2 GLN 47 8.327 -4.286 -7.056 344 HE22 GLN 47 2HE2 GLN 47 7.440 -5.753 -7.306 345 H GLU 48 H GLU 48 7.988 1.615 -7.398 346 HA GLU 48 HA GLU 48 9.683 1.784 -9.768 347 HB2 GLU 48 1HB GLU 48 7.906 3.701 -9.000 348 HB3 GLU 48 2HB GLU 48 9.299 4.219 -8.072 349 HG2 GLU 48 1HG GLU 48 10.571 3.811 -10.410 350 HG3 GLU 48 2HG GLU 48 8.964 4.055 -11.066 351 H ASP 49 H ASP 49 11.788 1.278 -9.357 352 HA ASP 49 HA ASP 49 12.808 0.480 -7.071 353 HB2 ASP 49 1HB ASP 49 13.832 1.051 -9.550 354 HB3 ASP 49 2HB ASP 49 14.637 2.290 -8.608 355 H GLY 50 H GLY 50 12.533 1.534 -5.076 356 HA2 GLY 50 1HA GLY 50 13.801 3.241 -3.777 357 HA3 GLY 50 2HA GLY 50 13.241 4.405 -4.962 358 H TRP 51 H TRP 51 10.587 3.755 -5.406 359 HA TRP 51 HA TRP 51 9.388 3.717 -2.729 360 HB2 TRP 51 1HB TRP 51 8.993 5.769 -4.896 361 HB3 TRP 51 2HB TRP 51 7.764 5.461 -3.685 362 HD1 TRP 51 HD TRP 51 11.471 6.648 -3.842 363 HE1 TRP 51 1HE TRP 51 12.042 8.196 -1.782 364 HE3 TRP 51 3HE TRP 51 7.001 6.058 -1.491 365 HZ2 TRP 51 2HZ TRP 51 10.592 8.983 0.546 366 HZ3 TRP 51 3HZ TRP 51 6.660 7.251 0.671 367 HH2 TRP 51 HH TRP 51 8.366 8.673 1.691 368 H LEU 52 H LEU 52 7.361 2.640 -2.661 369 HA LEU 52 HA LEU 52 6.609 1.367 -5.201 370 HB2 LEU 52 1HB LEU 52 6.118 0.161 -2.496 371 HB3 LEU 52 2HB LEU 52 6.086 -0.609 -4.069 372 HG LEU 52 HG LEU 52 8.034 -1.294 -2.765 373 HD11 LEU 52 1HD1 LEU 52 9.828 -0.454 -4.483 374 HD12 LEU 52 2HD1 LEU 52 8.507 -1.528 -5.002 375 HD13 LEU 52 3HD1 LEU 52 8.411 0.220 -5.323 376 HD21 LEU 52 1HD2 LEU 52 9.302 1.402 -2.984 377 HD22 LEU 52 2HD2 LEU 52 8.130 1.116 -1.675 378 HD23 LEU 52 3HD2 LEU 52 9.579 0.092 -1.811 379 H TYR 53 H TYR 53 4.799 2.294 -5.988 380 HA TYR 53 HA TYR 53 3.029 3.712 -4.237 381 HB2 TYR 53 1HB TYR 53 3.756 4.165 -6.718 382 HB3 TYR 53 2HB TYR 53 2.730 2.817 -7.167 383 HD1 TYR 53 1HD TYR 53 2.342 5.803 -4.910 384 HD2 TYR 53 2HD TYR 53 0.741 3.490 -8.133 385 HE1 TYR 53 1HE TYR 53 0.341 7.364 -5.045 386 HE2 TYR 53 2HE TYR 53 -1.255 5.060 -8.258 387 HH TYR 53 HH TYR 53 -2.425 6.632 -6.422 388 H GLY 54 H GLY 54 0.888 3.193 -3.675 389 HA2 GLY 54 1HA GLY 54 -0.445 0.894 -4.695 390 HA3 GLY 54 2HA GLY 54 0.277 0.557 -3.135 391 H GLU 55 H GLU 55 -2.336 0.330 -2.985 392 HA GLU 55 HA GLU 55 -3.230 2.906 -1.947 393 HB2 GLU 55 1HB GLU 55 -4.604 2.474 -3.848 394 HB3 GLU 55 2HB GLU 55 -4.746 0.768 -3.473 395 HG2 GLU 55 1HG GLU 55 -5.726 2.519 -1.292 396 HG3 GLU 55 2HG GLU 55 -6.601 2.740 -2.794 397 H ARG 56 H ARG 56 -3.418 2.898 0.248 398 HA ARG 56 HA ARG 56 -3.153 0.524 1.673 399 HB2 ARG 56 1HB ARG 56 -2.525 2.883 2.443 400 HB3 ARG 56 2HB ARG 56 -4.229 3.197 2.700 401 HG2 ARG 56 1HG ARG 56 -4.368 1.377 4.357 402 HG3 ARG 56 2HG ARG 56 -2.715 0.899 4.025 403 HD2 ARG 56 1HD ARG 56 -2.838 2.271 6.091 404 HD3 ARG 56 2HD ARG 56 -1.880 3.079 4.867 405 HE ARG 56 HE ARG 56 -4.339 4.134 4.363 406 HH11 ARG 56 2HH2 ARG 56 -2.601 3.682 7.389 407 HH12 ARG 56 1HH2 ARG 56 -3.340 5.043 8.164 408 HH21 ARG 56 2HH1 ARG 56 -5.314 5.930 5.386 409 HH22 ARG 56 1HH1 ARG 56 -4.893 6.331 7.017 410 H LEU 57 H LEU 57 -4.743 -1.042 1.755 411 HA LEU 57 HA LEU 57 -7.400 -0.612 1.134 412 HB2 LEU 57 1HB LEU 57 -6.070 -2.779 2.761 413 HB3 LEU 57 2HB LEU 57 -7.743 -2.831 2.245 414 HG LEU 57 HG LEU 57 -6.564 -4.160 0.708 415 HD11 LEU 57 1HD1 LEU 57 -7.341 -3.303 -1.230 416 HD12 LEU 57 2HD1 LEU 57 -8.046 -2.077 -0.149 417 HD13 LEU 57 3HD1 LEU 57 -6.520 -1.740 -1.002 418 HD21 LEU 57 1HD2 LEU 57 -4.310 -3.100 1.412 419 HD22 LEU 57 2HD2 LEU 57 -4.482 -3.747 -0.237 420 HD23 LEU 57 3HD2 LEU 57 -4.584 -1.993 0.046 421 H ARG 58 H ARG 58 -5.598 -0.052 4.114 422 HA ARG 58 HA ARG 58 -7.389 -0.254 6.039 423 HB2 ARG 58 1HB ARG 58 -5.046 0.696 6.226 424 HB3 ARG 58 2HB ARG 58 -5.643 2.223 5.609 425 HG2 ARG 58 1HG ARG 58 -6.647 2.790 7.596 426 HG3 ARG 58 2HG ARG 58 -7.226 1.162 7.888 427 HD2 ARG 58 1HD ARG 58 -4.692 0.590 8.353 428 HD3 ARG 58 2HD ARG 58 -4.489 2.324 8.512 429 HE ARG 58 HE ARG 58 -6.642 1.892 10.140 430 HH11 ARG 58 2HH2 ARG 58 -3.537 0.253 9.892 431 HH12 ARG 58 1HH2 ARG 58 -3.501 -0.204 11.562 432 HH21 ARG 58 2HH1 ARG 58 -6.594 1.289 12.344 433 HH22 ARG 58 1HH1 ARG 58 -5.251 0.389 12.966 434 H ASP 59 H ASP 59 -6.956 2.860 4.184 435 HA ASP 59 HA ASP 59 -9.762 3.392 4.762 436 HB2 ASP 59 1HB ASP 59 -8.410 5.131 5.707 437 HB3 ASP 59 2HB ASP 59 -7.353 5.186 4.311 438 H GLY 60 H GLY 60 -7.223 2.967 2.333 439 HA2 GLY 60 1HA GLY 60 -7.739 2.316 0.133 440 HA3 GLY 60 2HA GLY 60 -9.230 3.235 0.201 441 H GLU 61 H GLU 61 -6.122 4.506 1.435 442 HA GLU 61 HA GLU 61 -6.350 6.612 -0.523 443 HB2 GLU 61 1HB GLU 61 -6.001 7.574 1.572 444 HB3 GLU 61 2HB GLU 61 -4.964 6.273 2.124 445 HG2 GLU 61 1HG GLU 61 -3.065 7.122 1.020 446 HG3 GLU 61 2HG GLU 61 -4.012 7.986 -0.176 447 H THR 62 H THR 62 -5.100 6.691 -2.345 448 HA THR 62 HA THR 62 -2.939 4.735 -2.556 449 HB THR 62 HB THR 62 -3.784 6.438 -4.873 450 HG1 THR 62 1HG THR 62 -5.409 4.492 -3.394 451 HG21 THR 62 1HG2 THR 62 -2.710 4.599 -5.769 452 HG22 THR 62 2HG2 THR 62 -2.948 3.633 -4.293 453 HG23 THR 62 3HG2 THR 62 -4.264 3.780 -5.483 454 H GLY 63 H GLY 63 -0.914 5.295 -2.099 455 HA2 GLY 63 1HA GLY 63 0.013 7.938 -2.954 456 HA3 GLY 63 2HA GLY 63 0.134 7.541 -1.251 457 H TRP 64 H TRP 64 2.532 7.972 -2.033 458 HA TRP 64 HA TRP 64 3.663 5.548 -3.209 459 HB2 TRP 64 1HB TRP 64 4.666 8.356 -2.823 460 HB3 TRP 64 2HB TRP 64 5.774 7.035 -3.137 461 HD1 TRP 64 HD TRP 64 3.220 9.241 -4.907 462 HE1 TRP 64 1HE TRP 64 3.196 8.821 -7.512 463 HE3 TRP 64 3HE TRP 64 6.168 5.099 -4.797 464 HZ2 TRP 64 2HZ TRP 64 4.385 6.849 -9.197 465 HZ3 TRP 64 3HZ TRP 64 6.688 3.986 -6.966 466 HH2 TRP 64 HH TRP 64 5.849 4.797 -9.114 467 H PHE 65 H PHE 65 4.299 3.979 -1.796 468 HA PHE 65 HA PHE 65 5.189 4.883 0.853 469 HB2 PHE 65 1HB PHE 65 4.114 2.894 1.717 470 HB3 PHE 65 2HB PHE 65 2.977 3.507 0.533 471 HD1 PHE 65 2HD PHE 65 5.785 1.087 0.887 472 HD2 PHE 65 1HD PHE 65 2.214 2.111 -1.164 473 HE1 PHE 65 2HE PHE 65 5.835 -1.122 -0.304 474 HE2 PHE 65 1HE PHE 65 2.264 -0.098 -2.354 475 HZ PHE 65 HZ PHE 65 4.074 -1.688 -1.910 476 HA PRO 66 HA PRO 66 8.918 2.934 -0.266 477 HB2 PRO 66 1HB PRO 66 10.247 3.212 2.106 478 HB3 PRO 66 2HB PRO 66 10.158 4.483 0.903 479 HG2 PRO 66 1HG PRO 66 8.715 4.260 3.473 480 HG3 PRO 66 2HG PRO 66 8.970 5.679 2.476 481 HD2 PRO 66 1HD PRO 66 6.555 4.146 2.694 482 HD3 PRO 66 2HD PRO 66 6.848 5.494 1.612 483 H GLU 67 H GLU 67 10.005 0.967 -0.213 484 HA GLU 67 HA GLU 67 8.410 -1.070 0.832 485 HB2 GLU 67 1HB GLU 67 10.513 -2.490 0.238 486 HB3 GLU 67 2HB GLU 67 9.671 -1.669 -1.061 487 HG2 GLU 67 1HG GLU 67 11.486 -0.388 -1.544 488 HG3 GLU 67 2HG GLU 67 11.660 0.113 0.126 489 H ASP 68 H ASP 68 11.311 0.662 2.006 490 HA ASP 68 HA ASP 68 12.246 -0.986 3.885 491 HB2 ASP 68 1HB ASP 68 12.297 1.829 3.346 492 HB3 ASP 68 2HB ASP 68 11.969 1.662 5.059 493 H PHE 69 H PHE 69 9.181 0.829 3.836 494 HA PHE 69 HA PHE 69 8.635 0.009 6.591 495 HB2 PHE 69 1HB PHE 69 7.320 1.976 4.622 496 HB3 PHE 69 2HB PHE 69 6.729 1.703 6.249 497 HD1 PHE 69 2HD PHE 69 9.875 2.669 4.485 498 HD2 PHE 69 1HD PHE 69 7.434 3.126 7.925 499 HE1 PHE 69 2HE PHE 69 11.421 4.449 5.345 500 HE2 PHE 69 1HE PHE 69 8.979 4.907 8.785 501 HZ PHE 69 HZ PHE 69 10.955 5.547 7.485 502 H ALA 70 H ALA 70 8.629 -1.990 4.501 503 HA ALA 70 HA ALA 70 6.071 -3.081 4.949 504 HB1 ALA 70 1HB ALA 70 6.000 -1.226 2.933 505 HB2 ALA 70 2HB ALA 70 6.383 -2.708 2.024 506 HB3 ALA 70 3HB ALA 70 4.922 -2.639 3.038 507 H ARG 71 H ARG 71 5.928 -5.291 4.046 508 HA ARG 71 HA ARG 71 8.547 -6.213 3.175 509 HB2 ARG 71 1HB ARG 71 6.784 -7.177 5.406 510 HB3 ARG 71 2HB ARG 71 7.554 -8.428 4.451 511 HG2 ARG 71 1HG ARG 71 9.765 -7.089 4.796 512 HG3 ARG 71 2HG ARG 71 8.897 -6.201 6.032 513 HD2 ARG 71 1HD ARG 71 10.105 -8.074 7.072 514 HD3 ARG 71 2HD ARG 71 8.380 -8.350 7.214 515 HE ARG 71 HE ARG 71 10.261 -9.827 5.462 516 HH11 ARG 71 2HH2 ARG 71 6.927 -9.251 6.429 517 HH12 ARG 71 1HH2 ARG 71 6.339 -10.732 5.748 518 HH21 ARG 71 2HH1 ARG 71 9.487 -11.780 4.564 519 HH22 ARG 71 1HH1 ARG 71 7.805 -12.180 4.680 520 H PHE 72 H PHE 72 8.341 -6.972 1.091 521 HA PHE 72 HA PHE 72 5.963 -7.402 -0.195 522 HB2 PHE 72 1HB PHE 72 8.875 -8.066 -0.482 523 HB3 PHE 72 2HB PHE 72 7.826 -9.120 -1.410 524 HD1 PHE 72 1HD PHE 72 6.278 -8.109 -3.115 525 HD2 PHE 72 2HD PHE 72 9.314 -5.851 -1.193 526 HE1 PHE 72 1HE PHE 72 6.130 -6.372 -4.920 527 HE2 PHE 72 2HE PHE 72 9.166 -4.114 -2.999 528 HZ PHE 72 HZ PHE 72 7.575 -4.395 -4.841 529 H ILE 73 H ILE 73 4.378 -8.755 0.584 530 HA ILE 73 HA ILE 73 4.891 -11.108 1.987 531 HB ILE 73 HB ILE 73 2.447 -10.254 0.431 532 HG12 ILE 73 1HG1 ILE 73 3.135 -9.873 3.360 533 HG13 ILE 73 2HG1 ILE 73 3.203 -8.621 2.136 534 HG21 ILE 73 1HG2 ILE 73 2.642 -12.269 2.683 535 HG22 ILE 73 2HG2 ILE 73 1.196 -11.823 1.745 536 HG23 ILE 73 3HG2 ILE 73 2.536 -12.690 0.957 537 HD11 ILE 73 1HD1 ILE 73 0.792 -8.842 1.698 538 HD12 ILE 73 2HD1 ILE 73 0.691 -10.211 2.831 539 HD13 ILE 73 3HD1 ILE 73 1.063 -8.579 3.437 540 H SER 74 H SER 74 3.827 -10.648 -1.461 541 HA SER 74 HA SER 74 5.353 -13.031 -2.072 542 HB2 SER 74 1HB SER 74 2.401 -12.736 -2.262 543 HB3 SER 74 2HB SER 74 3.154 -13.364 -3.714 544 HG SER 74 HG SER 74 3.143 -14.473 -1.063 545 H GLY 75 H GLY 75 6.578 -12.716 -3.913 546 HA2 GLY 75 1HA GLY 75 5.676 -11.254 -6.162 547 HA3 GLY 75 2HA GLY 75 6.717 -10.244 -5.179 548 HA PRO 76 HA PRO 76 9.091 -13.757 -7.332 549 HB2 PRO 76 1HB PRO 76 8.596 -13.765 -10.019 550 HB3 PRO 76 2HB PRO 76 7.855 -14.897 -8.905 551 HG2 PRO 76 1HG PRO 76 6.655 -12.538 -10.222 552 HG3 PRO 76 2HG PRO 76 5.852 -13.899 -9.464 553 HD2 PRO 76 1HD PRO 76 6.170 -11.267 -8.370 554 HD3 PRO 76 2HD PRO 76 5.471 -12.659 -7.566 555 H SER 77 H SER 77 11.208 -13.451 -7.865 556 HA SER 77 HA SER 77 11.837 -11.308 -9.588 557 HB2 SER 77 1HB SER 77 13.100 -9.933 -7.958 558 HB3 SER 77 2HB SER 77 11.391 -9.973 -7.572 559 HG SER 77 HG SER 77 11.791 -11.484 -5.899 560 H SER 78 H SER 78 13.067 -12.868 -10.725 561 HA SER 78 HA SER 78 14.874 -14.528 -9.297 562 HB2 SER 78 1HB SER 78 14.260 -14.063 -12.232 563 HB3 SER 78 2HB SER 78 15.622 -15.057 -11.755 564 HG SER 78 HG SER 78 12.918 -15.496 -10.818 565 H GLY 79 H GLY 79 17.093 -14.234 -8.996 566 HA2 GLY 79 1HA GLY 79 18.226 -11.739 -10.113 567 HA3 GLY 79 2HA GLY 79 18.607 -12.389 -8.531 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -3.202 24.210 -21.482 2 HA2 GLY 1 1HA GLY 1 -5.344 23.520 -21.144 3 HA3 GLY 1 2HA GLY 1 -4.793 21.872 -20.923 4 H SER 2 H SER 2 -6.557 23.981 -19.336 5 HA SER 2 HA SER 2 -5.485 23.136 -16.786 6 HB2 SER 2 1HB SER 2 -5.764 25.959 -17.728 7 HB3 SER 2 2HB SER 2 -6.349 25.643 -16.107 8 HG SER 2 HG SER 2 -4.309 25.731 -15.486 9 H SER 3 H SER 3 -7.120 22.388 -15.446 10 HA SER 3 HA SER 3 -9.707 23.496 -15.570 11 HB2 SER 3 1HB SER 3 -10.938 21.552 -16.383 12 HB3 SER 3 2HB SER 3 -9.782 22.045 -17.604 13 HG SER 3 HG SER 3 -8.390 20.331 -16.213 14 H GLY 4 H GLY 4 -11.253 22.022 -14.105 15 HA2 GLY 4 1HA GLY 4 -9.815 20.365 -12.205 16 HA3 GLY 4 2HA GLY 4 -10.384 21.899 -11.578 17 H SER 5 H SER 5 -11.283 18.679 -12.672 18 HA SER 5 HA SER 5 -13.622 18.684 -11.242 19 HB2 SER 5 1HB SER 5 -13.900 19.681 -14.034 20 HB3 SER 5 2HB SER 5 -15.025 18.410 -13.600 21 HG SER 5 HG SER 5 -15.308 19.856 -11.541 22 H SER 6 H SER 6 -14.049 16.523 -10.860 23 HA SER 6 HA SER 6 -14.002 14.602 -12.858 24 HB2 SER 6 1HB SER 6 -11.599 14.748 -12.892 25 HB3 SER 6 2HB SER 6 -11.498 14.783 -11.143 26 HG SER 6 HG SER 6 -12.369 12.543 -12.762 27 H GLY 7 H GLY 7 -14.688 12.495 -12.010 28 HA2 GLY 7 1HA GLY 7 -14.748 11.646 -9.422 29 HA3 GLY 7 2HA GLY 7 -16.122 12.729 -9.530 30 H TRP 8 H TRP 8 -14.832 9.590 -10.360 31 HA TRP 8 HA TRP 8 -17.452 8.827 -11.354 32 HB2 TRP 8 1HB TRP 8 -15.120 9.137 -13.062 33 HB3 TRP 8 2HB TRP 8 -15.714 7.489 -13.072 34 HD1 TRP 8 HD TRP 8 -18.230 7.108 -14.094 35 HE1 TRP 8 1HE TRP 8 -19.788 8.499 -15.706 36 HE3 TRP 8 3HE TRP 8 -15.710 11.497 -13.600 37 HZ2 TRP 8 2HZ TRP 8 -19.792 11.217 -16.576 38 HZ3 TRP 8 3HZ TRP 8 -16.557 13.471 -14.865 39 HH2 TRP 8 HH TRP 8 -18.524 13.381 -16.313 40 H GLN 9 H GLN 9 -18.008 7.081 -10.127 41 HA GLN 9 HA GLN 9 -16.405 5.927 -8.301 42 HB2 GLN 9 1HB GLN 9 -19.001 5.378 -9.505 43 HB3 GLN 9 2HB GLN 9 -18.180 3.872 -9.145 44 HG2 GLN 9 1HG GLN 9 -17.990 5.933 -6.997 45 HG3 GLN 9 2HG GLN 9 -19.614 5.351 -7.306 46 HE21 GLN 9 1HE2 GLN 9 -19.806 2.929 -7.567 47 HE22 GLN 9 2HE2 GLN 9 -18.948 1.932 -6.439 48 H GLY 10 H GLY 10 -15.323 3.808 -8.149 49 HA2 GLY 10 1HA GLY 10 -14.284 1.953 -9.022 50 HA3 GLY 10 2HA GLY 10 -14.719 2.445 -10.647 51 H LEU 11 H LEU 11 -12.863 2.709 -11.818 52 HA LEU 11 HA LEU 11 -10.876 3.442 -12.435 53 HB2 LEU 11 1HB LEU 11 -12.020 5.583 -10.904 54 HB3 LEU 11 2HB LEU 11 -10.286 5.557 -10.653 55 HG LEU 11 HG LEU 11 -11.520 5.514 -13.413 56 HD11 LEU 11 1HD1 LEU 11 -11.592 7.811 -13.540 57 HD12 LEU 11 2HD1 LEU 11 -12.127 7.535 -11.865 58 HD13 LEU 11 3HD1 LEU 11 -10.451 8.036 -12.193 59 HD21 LEU 11 1HD2 LEU 11 -9.435 5.644 -14.235 60 HD22 LEU 11 2HD2 LEU 11 -8.878 6.739 -12.947 61 HD23 LEU 11 3HD2 LEU 11 -8.961 4.986 -12.650 62 H SER 12 H SER 12 -10.221 1.283 -11.525 63 HA SER 12 HA SER 12 -7.965 1.693 -9.885 64 HB2 SER 12 1HB SER 12 -10.472 0.618 -8.676 65 HB3 SER 12 2HB SER 12 -9.022 -0.299 -8.319 66 HG SER 12 HG SER 12 -8.377 2.306 -8.024 67 H SER 13 H SER 13 -10.375 -0.910 -10.731 68 HA SER 13 HA SER 13 -10.107 -2.908 -11.564 69 HB2 SER 13 1HB SER 13 -8.950 -1.008 -13.393 70 HB3 SER 13 2HB SER 13 -8.008 -2.482 -13.495 71 HG SER 13 HG SER 13 -9.844 -2.473 -14.961 72 H LYS 14 H LYS 14 -9.211 -4.099 -9.818 73 HA LYS 14 HA LYS 14 -6.283 -4.333 -9.876 74 HB2 LYS 14 1HB LYS 14 -6.406 -4.916 -7.506 75 HB3 LYS 14 2HB LYS 14 -7.087 -3.330 -7.806 76 HG2 LYS 14 1HG LYS 14 -9.083 -5.513 -8.011 77 HG3 LYS 14 2HG LYS 14 -8.349 -5.398 -6.424 78 HD2 LYS 14 1HD LYS 14 -9.098 -3.162 -6.094 79 HD3 LYS 14 2HD LYS 14 -9.353 -2.890 -7.806 80 HE2 LYS 14 1HE LYS 14 -11.047 -5.053 -7.277 81 HE3 LYS 14 2HE LYS 14 -11.167 -4.107 -5.807 82 HZ1 LYS 14 1HZ LYS 14 -12.737 -3.238 -7.255 83 HZ2 LYS 14 2HZ LYS 14 -11.512 -2.161 -7.334 84 HZ3 LYS 14 3HZ LYS 14 -11.734 -3.236 -8.543 85 H GLY 15 H GLY 15 -5.632 -6.620 -8.875 86 HA2 GLY 15 1HA GLY 15 -7.472 -8.736 -9.640 87 HA3 GLY 15 2HA GLY 15 -6.043 -8.577 -10.642 88 H ASP 16 H ASP 16 -4.021 -9.267 -9.884 89 HA ASP 16 HA ASP 16 -4.092 -10.363 -7.182 90 HB2 ASP 16 1HB ASP 16 -2.996 -11.403 -9.785 91 HB3 ASP 16 2HB ASP 16 -2.080 -11.771 -8.338 92 H LEU 17 H LEU 17 -3.319 -7.612 -8.097 93 HA LEU 17 HA LEU 17 -0.658 -7.224 -8.533 94 HB2 LEU 17 1HB LEU 17 -2.779 -5.650 -7.123 95 HB3 LEU 17 2HB LEU 17 -1.124 -5.076 -7.112 96 HG LEU 17 HG LEU 17 -2.833 -5.587 -9.561 97 HD11 LEU 17 1HD1 LEU 17 -2.983 -3.258 -9.832 98 HD12 LEU 17 2HD1 LEU 17 -3.297 -3.544 -8.103 99 HD13 LEU 17 3HD1 LEU 17 -1.706 -2.946 -8.632 100 HD21 LEU 17 1HD2 LEU 17 -0.619 -4.167 -10.394 101 HD22 LEU 17 2HD2 LEU 17 0.066 -5.353 -9.256 102 HD23 LEU 17 3HD2 LEU 17 -0.907 -5.906 -10.640 103 HA PRO 18 HA PRO 18 1.411 -8.312 -4.907 104 HB2 PRO 18 1HB PRO 18 3.492 -6.543 -4.819 105 HB3 PRO 18 2HB PRO 18 3.476 -7.952 -5.861 106 HG2 PRO 18 1HG PRO 18 3.071 -5.113 -6.578 107 HG3 PRO 18 2HG PRO 18 3.478 -6.461 -7.620 108 HD2 PRO 18 1HD PRO 18 0.909 -5.215 -7.351 109 HD3 PRO 18 2HD PRO 18 1.290 -6.635 -8.304 110 H GLN 19 H GLN 19 1.465 -8.125 -2.695 111 HA GLN 19 HA GLN 19 0.608 -5.484 -1.807 112 HB2 GLN 19 1HB GLN 19 -0.424 -8.193 -0.867 113 HB3 GLN 19 2HB GLN 19 -0.745 -6.693 -0.021 114 HG2 GLN 19 1HG GLN 19 -2.245 -5.953 -1.609 115 HG3 GLN 19 2HG GLN 19 -1.322 -6.611 -2.945 116 HE21 GLN 19 1HE2 GLN 19 -3.134 -7.701 -0.079 117 HE22 GLN 19 2HE2 GLN 19 -3.941 -9.040 -0.824 118 H VAL 20 H VAL 20 1.645 -4.681 0.040 119 HA VAL 20 HA VAL 20 3.577 -6.514 1.282 120 HB VAL 20 HB VAL 20 5.127 -4.660 1.455 121 HG11 VAL 20 1HG1 VAL 20 5.981 -5.155 -0.553 122 HG12 VAL 20 2HG1 VAL 20 4.473 -6.044 -0.876 123 HG13 VAL 20 3HG1 VAL 20 4.639 -4.352 -1.404 124 HG21 VAL 20 1HG2 VAL 20 3.411 -2.956 -0.335 125 HG22 VAL 20 2HG2 VAL 20 3.157 -2.937 1.427 126 HG23 VAL 20 3HG2 VAL 20 4.740 -2.483 0.750 127 H GLU 21 H GLU 21 3.743 -6.424 3.533 128 HA GLU 21 HA GLU 21 1.579 -4.951 4.762 129 HB2 GLU 21 1HB GLU 21 1.728 -7.352 5.264 130 HB3 GLU 21 2HB GLU 21 3.384 -7.174 5.811 131 HG2 GLU 21 1HG GLU 21 2.675 -5.755 7.689 132 HG3 GLU 21 2HG GLU 21 1.027 -5.717 7.094 133 H ILE 22 H ILE 22 1.962 -3.020 5.751 134 HA ILE 22 HA ILE 22 4.580 -2.012 5.975 135 HB ILE 22 HB ILE 22 2.002 -1.029 7.205 136 HG12 ILE 22 1HG1 ILE 22 1.850 -1.342 4.759 137 HG13 ILE 22 2HG1 ILE 22 1.730 0.339 5.242 138 HG21 ILE 22 1HG2 ILE 22 4.544 0.500 6.594 139 HG22 ILE 22 2HG2 ILE 22 3.065 1.123 7.365 140 HG23 ILE 22 3HG2 ILE 22 4.069 -0.082 8.208 141 HD11 ILE 22 1HD1 ILE 22 4.314 -0.982 4.293 142 HD12 ILE 22 2HD1 ILE 22 3.236 -0.015 3.259 143 HD13 ILE 22 3HD1 ILE 22 4.070 0.748 4.634 144 H THR 23 H THR 23 6.104 -2.490 7.454 145 HA THR 23 HA THR 23 5.404 -4.022 9.770 146 HB THR 23 HB THR 23 7.787 -4.226 9.993 147 HG1 THR 23 1HG THR 23 7.784 -1.830 8.294 148 HG21 THR 23 1HG2 THR 23 8.039 -3.538 7.119 149 HG22 THR 23 2HG2 THR 23 8.325 -5.095 7.933 150 HG23 THR 23 3HG2 THR 23 6.674 -4.629 7.458 151 H LYS 24 H LYS 24 5.984 -0.603 9.032 152 HA LYS 24 HA LYS 24 5.098 0.018 11.715 153 HB2 LYS 24 1HB LYS 24 6.979 1.526 12.170 154 HB3 LYS 24 2HB LYS 24 7.495 -0.144 12.048 155 HG2 LYS 24 1HG LYS 24 7.754 0.667 9.421 156 HG3 LYS 24 2HG LYS 24 8.106 2.165 10.261 157 HD2 LYS 24 1HD LYS 24 9.944 1.198 11.463 158 HD3 LYS 24 2HD LYS 24 9.433 -0.438 11.103 159 HE2 LYS 24 1HE LYS 24 10.260 -0.375 8.913 160 HE3 LYS 24 2HE LYS 24 10.053 1.359 8.765 161 HZ1 LYS 24 1HZ LYS 24 11.882 0.784 10.807 162 HZ2 LYS 24 2HZ LYS 24 12.344 0.024 9.438 163 HZ3 LYS 24 3HZ LYS 24 12.115 1.641 9.437 164 H ALA 25 H ALA 25 4.118 2.092 11.856 165 HA ALA 25 HA ALA 25 2.746 2.955 9.688 166 HB1 ALA 25 1HB ALA 25 3.506 5.151 11.485 167 HB2 ALA 25 2HB ALA 25 1.911 4.416 11.194 168 HB3 ALA 25 3HB ALA 25 3.032 3.676 12.361 169 H PHE 26 H PHE 26 2.932 4.882 8.299 170 HA PHE 26 HA PHE 26 5.683 5.807 7.969 171 HB2 PHE 26 1HB PHE 26 5.537 4.126 6.264 172 HB3 PHE 26 2HB PHE 26 3.813 4.361 6.054 173 HD1 PHE 26 1HD PHE 26 6.931 6.397 5.680 174 HD2 PHE 26 2HD PHE 26 3.171 5.289 4.055 175 HE1 PHE 26 1HE PHE 26 7.372 7.841 3.675 176 HE2 PHE 26 2HE PHE 26 3.612 6.732 2.049 177 HZ PHE 26 HZ PHE 26 5.707 7.992 1.883 178 H PHE 27 H PHE 27 4.910 7.791 8.971 179 HA PHE 27 HA PHE 27 2.671 9.176 8.098 180 HB2 PHE 27 1HB PHE 27 5.398 10.060 9.218 181 HB3 PHE 27 2HB PHE 27 4.011 11.128 9.135 182 HD1 PHE 27 2HD PHE 27 2.010 10.660 10.540 183 HD2 PHE 27 1HD PHE 27 5.598 8.430 10.947 184 HE1 PHE 27 2HE PHE 27 1.248 9.844 12.788 185 HE2 PHE 27 1HE PHE 27 4.836 7.615 13.195 186 HZ PHE 27 HZ PHE 27 2.670 8.331 14.089 187 H ALA 28 H ALA 28 2.301 9.671 5.969 188 HA ALA 28 HA ALA 28 4.059 9.920 3.957 189 HB1 ALA 28 1HB ALA 28 1.490 10.067 3.981 190 HB2 ALA 28 2HB ALA 28 1.706 11.809 4.273 191 HB3 ALA 28 3HB ALA 28 2.342 11.072 2.783 192 H LYS 29 H LYS 29 5.392 11.517 3.033 193 HA LYS 29 HA LYS 29 5.909 13.788 4.823 194 HB2 LYS 29 1HB LYS 29 7.810 12.318 2.972 195 HB3 LYS 29 2HB LYS 29 8.214 13.740 3.912 196 HG2 LYS 29 1HG LYS 29 7.097 11.221 5.213 197 HG3 LYS 29 2HG LYS 29 8.814 11.434 4.937 198 HD2 LYS 29 1HD LYS 29 8.553 13.712 6.181 199 HD3 LYS 29 2HD LYS 29 6.986 13.118 6.693 200 HE2 LYS 29 1HE LYS 29 7.893 11.482 8.082 201 HE3 LYS 29 2HE LYS 29 9.310 11.253 7.076 202 HZ1 LYS 29 1HZ LYS 29 8.837 13.658 8.694 203 HZ2 LYS 29 2HZ LYS 29 9.753 12.396 9.178 204 HZ3 LYS 29 3HZ LYS 29 10.203 13.283 7.882 205 H GLN 30 H GLN 30 5.265 12.656 1.508 206 HA GLN 30 HA GLN 30 5.262 15.454 0.688 207 HB2 GLN 30 1HB GLN 30 5.211 13.138 -1.259 208 HB3 GLN 30 2HB GLN 30 5.790 14.772 -1.514 209 HG2 GLN 30 1HG GLN 30 7.123 12.862 0.454 210 HG3 GLN 30 2HG GLN 30 7.589 12.942 -1.234 211 HE21 GLN 30 1HE2 GLN 30 9.474 13.447 0.552 212 HE22 GLN 30 2HE2 GLN 30 9.891 15.126 0.631 213 H ALA 31 H ALA 31 3.624 15.496 -1.484 214 HA ALA 31 HA ALA 31 1.050 15.032 -0.271 215 HB1 ALA 31 1HB ALA 31 0.223 16.357 -2.134 216 HB2 ALA 31 2HB ALA 31 1.677 17.143 -1.474 217 HB3 ALA 31 3HB ALA 31 1.780 16.206 -2.983 218 H ASP 32 H ASP 32 3.259 13.203 -2.076 219 HA ASP 32 HA ASP 32 1.140 11.799 -3.469 220 HB2 ASP 32 1HB ASP 32 3.834 12.449 -4.105 221 HB3 ASP 32 2HB ASP 32 3.840 10.719 -3.829 222 H GLU 33 H GLU 33 3.027 11.782 -0.590 223 HA GLU 33 HA GLU 33 3.160 8.928 -0.372 224 HB2 GLU 33 1HB GLU 33 3.946 11.215 1.475 225 HB3 GLU 33 2HB GLU 33 4.058 9.538 1.970 226 HG2 GLU 33 1HG GLU 33 5.508 9.086 -0.060 227 HG3 GLU 33 2HG GLU 33 5.464 10.797 -0.432 228 H VAL 34 H VAL 34 2.078 7.687 1.333 229 HA VAL 34 HA VAL 34 -0.332 9.039 2.335 230 HB VAL 34 HB VAL 34 -1.106 7.663 0.619 231 HG11 VAL 34 1HG1 VAL 34 -0.388 5.399 0.168 232 HG12 VAL 34 2HG1 VAL 34 1.045 6.451 0.257 233 HG13 VAL 34 3HG1 VAL 34 0.634 5.388 1.625 234 HG21 VAL 34 1HG2 VAL 34 -2.521 7.283 2.450 235 HG22 VAL 34 2HG2 VAL 34 -2.137 5.647 1.863 236 HG23 VAL 34 3HG2 VAL 34 -1.312 6.293 3.302 237 H THR 35 H THR 35 -1.025 8.441 4.451 238 HA THR 35 HA THR 35 1.155 7.523 6.109 239 HB THR 35 HB THR 35 -1.699 8.429 6.764 240 HG1 THR 35 1HG THR 35 -0.726 10.463 6.679 241 HG21 THR 35 1HG2 THR 35 0.322 7.326 8.444 242 HG22 THR 35 2HG2 THR 35 0.423 9.089 8.667 243 HG23 THR 35 3HG2 THR 35 -1.113 8.241 8.966 244 H LEU 36 H LEU 36 1.457 5.554 6.974 245 HA LEU 36 HA LEU 36 -0.792 3.682 6.731 246 HB2 LEU 36 1HB LEU 36 2.073 2.844 6.411 247 HB3 LEU 36 2HB LEU 36 0.614 1.969 5.990 248 HG LEU 36 HG LEU 36 1.316 4.536 4.579 249 HD11 LEU 36 1HD1 LEU 36 3.284 2.960 4.542 250 HD12 LEU 36 2HD1 LEU 36 2.250 1.812 3.658 251 HD13 LEU 36 3HD1 LEU 36 2.619 3.403 2.951 252 HD21 LEU 36 1HD2 LEU 36 -0.830 3.941 3.982 253 HD22 LEU 36 2HD2 LEU 36 0.131 3.153 2.707 254 HD23 LEU 36 3HD2 LEU 36 -0.491 2.195 4.072 255 H GLN 37 H GLN 37 -0.510 1.757 8.274 256 HA GLN 37 HA GLN 37 0.718 2.768 10.722 257 HB2 GLN 37 1HB GLN 37 -1.867 1.207 10.334 258 HB3 GLN 37 2HB GLN 37 -1.094 1.371 11.898 259 HG2 GLN 37 1HG GLN 37 -1.930 3.727 10.141 260 HG3 GLN 37 2HG GLN 37 -2.889 3.098 11.467 261 HE21 GLN 37 1HE2 GLN 37 -0.850 5.464 10.625 262 HE22 GLN 37 2HE2 GLN 37 -0.114 5.865 12.141 263 H GLN 38 H GLN 38 0.878 0.696 12.371 264 HA GLN 38 HA GLN 38 2.755 -0.971 11.095 265 HB2 GLN 38 1HB GLN 38 3.059 -0.288 13.423 266 HB3 GLN 38 2HB GLN 38 1.537 -1.021 13.888 267 HG2 GLN 38 1HG GLN 38 2.712 -3.202 12.774 268 HG3 GLN 38 2HG GLN 38 4.161 -2.335 13.241 269 HE21 GLN 38 1HE2 GLN 38 4.913 -3.166 15.031 270 HE22 GLN 38 2HE2 GLN 38 4.022 -3.549 16.466 271 H ALA 39 H ALA 39 2.490 -2.973 10.169 272 HA ALA 39 HA ALA 39 1.556 -4.887 9.557 273 HB1 ALA 39 1HB ALA 39 -0.669 -5.331 11.202 274 HB2 ALA 39 2HB ALA 39 0.982 -5.945 11.461 275 HB3 ALA 39 3HB ALA 39 0.467 -4.424 12.230 276 H ASP 40 H ASP 40 0.938 -2.577 8.154 277 HA ASP 40 HA ASP 40 -1.924 -2.849 7.700 278 HB2 ASP 40 1HB ASP 40 0.069 -0.610 7.235 279 HB3 ASP 40 2HB ASP 40 -1.417 -0.650 6.307 280 H VAL 41 H VAL 41 -2.579 -3.685 5.685 281 HA VAL 41 HA VAL 41 -0.441 -4.387 3.835 282 HB VAL 41 HB VAL 41 -3.333 -5.239 4.062 283 HG11 VAL 41 1HG1 VAL 41 -1.831 -5.248 1.752 284 HG12 VAL 41 2HG1 VAL 41 -1.534 -6.876 2.408 285 HG13 VAL 41 3HG1 VAL 41 -3.201 -6.330 2.100 286 HG21 VAL 41 1HG2 VAL 41 -1.358 -5.976 5.720 287 HG22 VAL 41 2HG2 VAL 41 -2.650 -7.089 5.208 288 HG23 VAL 41 3HG2 VAL 41 -1.062 -7.140 4.407 289 H VAL 42 H VAL 42 -0.134 -3.360 1.913 290 HA VAL 42 HA VAL 42 -2.287 -1.555 1.050 291 HB VAL 42 HB VAL 42 0.684 -1.131 1.248 292 HG11 VAL 42 1HG1 VAL 42 0.346 0.967 -0.086 293 HG12 VAL 42 2HG1 VAL 42 0.191 -0.534 -1.030 294 HG13 VAL 42 3HG1 VAL 42 -1.266 0.361 -0.535 295 HG21 VAL 42 1HG2 VAL 42 -1.035 1.121 1.871 296 HG22 VAL 42 2HG2 VAL 42 -1.516 -0.323 2.794 297 HG23 VAL 42 3HG2 VAL 42 0.155 0.282 2.894 298 H LEU 43 H LEU 43 -2.823 -1.607 -1.131 299 HA LEU 43 HA LEU 43 -1.729 -3.864 -2.572 300 HB2 LEU 43 1HB LEU 43 -4.167 -3.439 -2.373 301 HB3 LEU 43 2HB LEU 43 -3.963 -1.965 -3.298 302 HG LEU 43 HG LEU 43 -2.869 -3.631 -5.063 303 HD11 LEU 43 1HD1 LEU 43 -3.978 -5.796 -5.109 304 HD12 LEU 43 2HD1 LEU 43 -3.040 -5.604 -3.609 305 HD13 LEU 43 3HD1 LEU 43 -4.811 -5.425 -3.580 306 HD21 LEU 43 1HD2 LEU 43 -5.244 -2.243 -4.842 307 HD22 LEU 43 2HD2 LEU 43 -4.647 -3.082 -6.294 308 HD23 LEU 43 3HD2 LEU 43 -5.778 -3.905 -5.193 309 H VAL 44 H VAL 44 0.150 -3.580 -3.650 310 HA VAL 44 HA VAL 44 1.153 -1.069 -4.344 311 HB VAL 44 HB VAL 44 1.796 -3.846 -5.355 312 HG11 VAL 44 1HG1 VAL 44 3.554 -3.052 -6.550 313 HG12 VAL 44 2HG1 VAL 44 2.558 -1.579 -6.623 314 HG13 VAL 44 3HG1 VAL 44 3.862 -1.713 -5.418 315 HG21 VAL 44 1HG2 VAL 44 2.602 -2.248 -2.964 316 HG22 VAL 44 2HG2 VAL 44 2.351 -4.001 -3.143 317 HG23 VAL 44 3HG2 VAL 44 3.846 -3.250 -3.749 318 H LEU 45 H LEU 45 1.154 0.121 -6.267 319 HA LEU 45 HA LEU 45 -0.667 -0.907 -8.331 320 HB2 LEU 45 1HB LEU 45 -0.427 1.844 -7.137 321 HB3 LEU 45 2HB LEU 45 -1.116 1.589 -8.728 322 HG LEU 45 HG LEU 45 -2.186 0.073 -6.359 323 HD11 LEU 45 1HD1 LEU 45 -2.741 1.981 -5.347 324 HD12 LEU 45 2HD1 LEU 45 -2.316 2.963 -6.769 325 HD13 LEU 45 3HD1 LEU 45 -3.921 2.200 -6.662 326 HD21 LEU 45 1HD2 LEU 45 -4.310 0.602 -7.905 327 HD22 LEU 45 2HD2 LEU 45 -3.035 0.656 -9.146 328 HD23 LEU 45 3HD2 LEU 45 -3.250 -0.806 -8.154 329 H GLN 46 H GLN 46 2.235 1.057 -7.508 330 HA GLN 46 HA GLN 46 3.265 0.331 -10.109 331 HB2 GLN 46 1HB GLN 46 2.589 3.085 -9.234 332 HB3 GLN 46 2HB GLN 46 4.213 2.923 -9.873 333 HG2 GLN 46 1HG GLN 46 3.365 2.926 -11.973 334 HG3 GLN 46 2HG GLN 46 2.547 1.415 -11.628 335 HE21 GLN 46 1HE2 GLN 46 2.297 4.887 -11.749 336 HE22 GLN 46 2HE2 GLN 46 0.571 5.019 -11.682 337 H GLN 47 H GLN 47 5.288 -0.520 -9.860 338 HA GLN 47 HA GLN 47 6.602 0.048 -7.337 339 HB2 GLN 47 1HB GLN 47 6.566 -2.257 -9.244 340 HB3 GLN 47 2HB GLN 47 8.091 -1.958 -8.434 341 HG2 GLN 47 1HG GLN 47 6.733 -1.857 -6.227 342 HG3 GLN 47 2HG GLN 47 5.385 -2.502 -7.143 343 HE21 GLN 47 1HE2 GLN 47 8.886 -3.063 -6.769 344 HE22 GLN 47 2HE2 GLN 47 8.821 -4.790 -6.660 345 H GLU 48 H GLU 48 7.998 1.761 -7.434 346 HA GLU 48 HA GLU 48 9.611 1.943 -9.859 347 HB2 GLU 48 1HB GLU 48 7.877 3.845 -9.027 348 HB3 GLU 48 2HB GLU 48 9.265 4.335 -8.076 349 HG2 GLU 48 1HG GLU 48 10.495 3.940 -10.485 350 HG3 GLU 48 2HG GLU 48 8.892 4.365 -11.050 351 H ASP 49 H ASP 49 11.717 1.383 -9.544 352 HA ASP 49 HA ASP 49 12.840 0.559 -7.322 353 HB2 ASP 49 1HB ASP 49 13.754 1.132 -9.834 354 HB3 ASP 49 2HB ASP 49 14.598 2.378 -8.936 355 H GLY 50 H GLY 50 12.635 1.599 -5.307 356 HA2 GLY 50 1HA GLY 50 13.985 3.274 -4.042 357 HA3 GLY 50 2HA GLY 50 13.389 4.458 -5.189 358 H TRP 51 H TRP 51 10.686 3.586 -5.511 359 HA TRP 51 HA TRP 51 9.609 3.604 -2.797 360 HB2 TRP 51 1HB TRP 51 9.101 5.701 -4.900 361 HB3 TRP 51 2HB TRP 51 7.962 5.379 -3.608 362 HD1 TRP 51 HD TRP 51 11.668 6.526 -4.000 363 HE1 TRP 51 1HE TRP 51 12.389 8.049 -1.970 364 HE3 TRP 51 3HE TRP 51 7.346 5.984 -1.377 365 HZ2 TRP 51 2HZ TRP 51 11.101 8.839 0.450 366 HZ3 TRP 51 3HZ TRP 51 7.159 7.164 0.810 367 HH2 TRP 51 HH TRP 51 8.947 8.553 1.731 368 H LEU 52 H LEU 52 7.516 2.614 -2.691 369 HA LEU 52 HA LEU 52 6.694 1.360 -5.219 370 HB2 LEU 52 1HB LEU 52 6.212 0.123 -2.531 371 HB3 LEU 52 2HB LEU 52 6.202 -0.625 -4.116 372 HG LEU 52 HG LEU 52 8.133 -1.324 -2.793 373 HD11 LEU 52 1HD1 LEU 52 8.599 0.264 -5.304 374 HD12 LEU 52 2HD1 LEU 52 9.950 -0.538 -4.467 375 HD13 LEU 52 3HD1 LEU 52 8.575 -1.499 -5.064 376 HD21 LEU 52 1HD2 LEU 52 8.209 1.092 -1.692 377 HD22 LEU 52 2HD2 LEU 52 9.646 0.047 -1.785 378 HD23 LEU 52 3HD2 LEU 52 9.423 1.359 -2.966 379 H TYR 53 H TYR 53 4.844 2.243 -5.953 380 HA TYR 53 HA TYR 53 3.126 3.637 -4.094 381 HB2 TYR 53 1HB TYR 53 3.815 4.409 -6.445 382 HB3 TYR 53 2HB TYR 53 2.997 3.009 -7.110 383 HD1 TYR 53 2HD TYR 53 2.125 5.721 -4.651 384 HD2 TYR 53 1HD TYR 53 0.974 3.493 -8.117 385 HE1 TYR 53 2HE TYR 53 -0.040 7.047 -4.793 386 HE2 TYR 53 1HE TYR 53 -1.187 4.827 -8.248 387 HH TYR 53 HH TYR 53 -2.093 6.854 -7.555 388 H GLY 54 H GLY 54 0.965 3.111 -3.608 389 HA2 GLY 54 1HA GLY 54 -0.274 0.797 -4.804 390 HA3 GLY 54 2HA GLY 54 0.263 0.536 -3.156 391 H GLU 55 H GLU 55 -2.287 0.248 -3.131 392 HA GLU 55 HA GLU 55 -3.329 2.840 -2.307 393 HB2 GLU 55 1HB GLU 55 -4.431 2.450 -4.390 394 HB3 GLU 55 2HB GLU 55 -4.658 0.745 -4.055 395 HG2 GLU 55 1HG GLU 55 -5.906 2.244 -1.922 396 HG3 GLU 55 2HG GLU 55 -6.432 2.933 -3.445 397 H ARG 56 H ARG 56 -3.393 2.661 -0.096 398 HA ARG 56 HA ARG 56 -3.305 0.523 1.411 399 HB2 ARG 56 1HB ARG 56 -3.455 2.927 2.196 400 HB3 ARG 56 2HB ARG 56 -5.192 2.868 1.968 401 HG2 ARG 56 1HG ARG 56 -5.513 1.767 3.935 402 HG3 ARG 56 2HG ARG 56 -4.276 0.583 3.562 403 HD2 ARG 56 1HD ARG 56 -3.476 1.721 5.513 404 HD3 ARG 56 2HD ARG 56 -2.533 2.378 4.190 405 HE ARG 56 HE ARG 56 -4.575 4.158 4.245 406 HH11 ARG 56 2HH2 ARG 56 -2.694 2.785 6.883 407 HH12 ARG 56 1HH2 ARG 56 -2.873 4.173 7.903 408 HH21 ARG 56 2HH1 ARG 56 -4.811 5.990 5.590 409 HH22 ARG 56 1HH1 ARG 56 -4.085 6.009 7.163 410 H LEU 57 H LEU 57 -4.784 -0.990 2.430 411 HA LEU 57 HA LEU 57 -7.218 -1.372 0.865 412 HB2 LEU 57 1HB LEU 57 -5.740 -3.238 2.726 413 HB3 LEU 57 2HB LEU 57 -7.181 -3.639 1.814 414 HG LEU 57 HG LEU 57 -4.713 -2.684 0.383 415 HD11 LEU 57 1HD1 LEU 57 -3.576 -4.385 1.322 416 HD12 LEU 57 2HD1 LEU 57 -5.052 -5.240 1.829 417 HD13 LEU 57 3HD1 LEU 57 -4.479 -5.373 0.149 418 HD21 LEU 57 1HD2 LEU 57 -6.283 -2.844 -1.233 419 HD22 LEU 57 2HD2 LEU 57 -5.824 -4.564 -1.192 420 HD23 LEU 57 3HD2 LEU 57 -7.272 -4.007 -0.318 421 H ARG 58 H ARG 58 -6.125 0.001 3.791 422 HA ARG 58 HA ARG 58 -8.130 -0.817 5.508 423 HB2 ARG 58 1HB ARG 58 -5.993 0.416 6.127 424 HB3 ARG 58 2HB ARG 58 -6.690 1.883 5.469 425 HG2 ARG 58 1HG ARG 58 -8.505 1.842 7.113 426 HG3 ARG 58 2HG ARG 58 -8.026 0.254 7.678 427 HD2 ARG 58 1HD ARG 58 -6.327 1.086 8.985 428 HD3 ARG 58 2HD ARG 58 -5.826 2.248 7.772 429 HE ARG 58 HE ARG 58 -7.138 3.859 8.834 430 HH11 ARG 58 2HH2 ARG 58 -8.301 0.670 9.761 431 HH12 ARG 58 1HH2 ARG 58 -9.451 1.281 10.903 432 HH21 ARG 58 2HH1 ARG 58 -8.656 4.666 10.341 433 HH22 ARG 58 1HH1 ARG 58 -9.654 3.569 11.235 434 H ASP 59 H ASP 59 -7.780 2.397 3.814 435 HA ASP 59 HA ASP 59 -10.692 2.532 3.851 436 HB2 ASP 59 1HB ASP 59 -8.850 4.335 4.887 437 HB3 ASP 59 2HB ASP 59 -9.150 5.019 3.302 438 H GLY 60 H GLY 60 -7.673 2.651 1.997 439 HA2 GLY 60 1HA GLY 60 -7.943 1.949 -0.343 440 HA3 GLY 60 2HA GLY 60 -9.217 3.144 -0.481 441 H GLU 61 H GLU 61 -7.027 4.507 1.646 442 HA GLU 61 HA GLU 61 -6.307 6.562 0.118 443 HB2 GLU 61 1HB GLU 61 -5.238 5.283 2.560 444 HB3 GLU 61 2HB GLU 61 -4.036 6.225 1.701 445 HG2 GLU 61 1HG GLU 61 -5.513 7.453 3.463 446 HG3 GLU 61 2HG GLU 61 -5.257 8.242 1.919 447 H THR 62 H THR 62 -5.038 6.928 -1.659 448 HA THR 62 HA THR 62 -3.140 4.791 -2.376 449 HB THR 62 HB THR 62 -4.295 6.746 -4.374 450 HG1 THR 62 1HG THR 62 -6.076 5.939 -3.010 451 HG21 THR 62 1HG2 THR 62 -3.153 3.979 -4.314 452 HG22 THR 62 2HG2 THR 62 -4.566 4.198 -5.375 453 HG23 THR 62 3HG2 THR 62 -3.109 5.191 -5.617 454 H GLY 63 H GLY 63 -1.117 5.327 -1.840 455 HA2 GLY 63 1HA GLY 63 -0.143 7.942 -2.726 456 HA3 GLY 63 2HA GLY 63 -0.002 7.554 -1.023 457 H TRP 64 H TRP 64 2.391 7.923 -1.854 458 HA TRP 64 HA TRP 64 3.448 5.487 -3.060 459 HB2 TRP 64 1HB TRP 64 4.536 8.253 -2.605 460 HB3 TRP 64 2HB TRP 64 5.603 6.907 -2.957 461 HD1 TRP 64 HD TRP 64 2.966 9.128 -4.647 462 HE1 TRP 64 1HE TRP 64 2.976 8.816 -7.267 463 HE3 TRP 64 3HE TRP 64 6.136 5.152 -4.688 464 HZ2 TRP 64 2HZ TRP 64 4.279 6.982 -9.024 465 HZ3 TRP 64 3HZ TRP 64 6.726 4.160 -6.898 466 HH2 TRP 64 HH TRP 64 5.852 5.012 -9.016 467 H PHE 65 H PHE 65 4.488 3.947 -1.834 468 HA PHE 65 HA PHE 65 5.245 4.730 0.887 469 HB2 PHE 65 1HB PHE 65 4.144 2.758 1.718 470 HB3 PHE 65 2HB PHE 65 3.020 3.351 0.511 471 HD1 PHE 65 2HD PHE 65 5.872 0.985 0.896 472 HD2 PHE 65 1HD PHE 65 2.285 1.924 -1.167 473 HE1 PHE 65 2HE PHE 65 5.972 -1.228 -0.284 474 HE2 PHE 65 1HE PHE 65 2.385 -0.289 -2.348 475 HZ PHE 65 HZ PHE 65 4.227 -1.838 -1.892 476 HA PRO 66 HA PRO 66 8.948 2.813 -0.370 477 HB2 PRO 66 1HB PRO 66 10.337 3.059 1.970 478 HB3 PRO 66 2HB PRO 66 10.217 4.347 0.788 479 HG2 PRO 66 1HG PRO 66 8.840 4.087 3.391 480 HG3 PRO 66 2HG PRO 66 9.069 5.520 2.408 481 HD2 PRO 66 1HD PRO 66 6.661 3.982 2.666 482 HD3 PRO 66 2HD PRO 66 6.925 5.345 1.596 483 H GLU 67 H GLU 67 10.198 0.891 -0.212 484 HA GLU 67 HA GLU 67 8.580 -1.188 0.784 485 HB2 GLU 67 1HB GLU 67 10.688 -2.581 0.146 486 HB3 GLU 67 2HB GLU 67 9.818 -1.760 -1.134 487 HG2 GLU 67 1HG GLU 67 11.577 -0.385 -1.603 488 HG3 GLU 67 2HG GLU 67 11.852 -0.016 0.088 489 H ASP 68 H ASP 68 11.465 0.584 1.928 490 HA ASP 68 HA ASP 68 12.379 -1.123 3.816 491 HB2 ASP 68 1HB ASP 68 12.863 1.498 3.085 492 HB3 ASP 68 2HB ASP 68 12.172 1.727 4.679 493 H PHE 69 H PHE 69 9.346 0.632 3.650 494 HA PHE 69 HA PHE 69 8.840 0.082 6.487 495 HB2 PHE 69 1HB PHE 69 7.629 2.003 4.411 496 HB3 PHE 69 2HB PHE 69 6.958 1.808 6.017 497 HD1 PHE 69 2HD PHE 69 10.140 2.699 4.297 498 HD2 PHE 69 1HD PHE 69 7.710 3.166 7.744 499 HE1 PHE 69 2HE PHE 69 11.710 4.454 5.166 500 HE2 PHE 69 1HE PHE 69 9.280 4.921 8.613 501 HZ PHE 69 HZ PHE 69 11.261 5.544 7.314 502 H ALA 70 H ALA 70 8.706 -1.877 4.199 503 HA ALA 70 HA ALA 70 6.106 -2.892 4.831 504 HB1 ALA 70 1HB ALA 70 6.309 -1.194 2.594 505 HB2 ALA 70 2HB ALA 70 6.313 -2.844 1.926 506 HB3 ALA 70 3HB ALA 70 4.976 -2.311 2.974 507 H ARG 71 H ARG 71 5.850 -5.134 3.985 508 HA ARG 71 HA ARG 71 8.433 -6.228 3.214 509 HB2 ARG 71 1HB ARG 71 6.648 -6.945 5.503 510 HB3 ARG 71 2HB ARG 71 7.263 -8.315 4.601 511 HG2 ARG 71 1HG ARG 71 9.564 -6.847 4.828 512 HG3 ARG 71 2HG ARG 71 8.743 -6.332 6.288 513 HD2 ARG 71 1HD ARG 71 9.738 -8.231 7.152 514 HD3 ARG 71 2HD ARG 71 8.298 -8.998 6.514 515 HE ARG 71 HE ARG 71 10.180 -8.915 4.395 516 HH11 ARG 71 2HH2 ARG 71 9.864 -10.414 7.563 517 HH12 ARG 71 1HH2 ARG 71 10.842 -11.784 7.153 518 HH21 ARG 71 2HH1 ARG 71 11.469 -10.722 3.854 519 HH22 ARG 71 1HH1 ARG 71 11.761 -11.960 5.029 520 H PHE 72 H PHE 72 8.170 -7.006 1.140 521 HA PHE 72 HA PHE 72 5.765 -7.434 -0.098 522 HB2 PHE 72 1HB PHE 72 8.659 -8.228 -0.401 523 HB3 PHE 72 2HB PHE 72 7.534 -9.182 -1.346 524 HD1 PHE 72 2HD PHE 72 5.960 -7.946 -2.932 525 HD2 PHE 72 1HD PHE 72 9.335 -6.105 -1.134 526 HE1 PHE 72 2HE PHE 72 5.920 -6.155 -4.690 527 HE2 PHE 72 1HE PHE 72 9.295 -4.314 -2.893 528 HZ PHE 72 HZ PHE 72 7.588 -4.360 -4.649 529 H ILE 73 H ILE 73 4.169 -8.753 0.705 530 HA ILE 73 HA ILE 73 4.665 -11.066 2.184 531 HB ILE 73 HB ILE 73 2.226 -10.199 0.628 532 HG12 ILE 73 1HG1 ILE 73 3.034 -9.774 3.519 533 HG13 ILE 73 2HG1 ILE 73 2.911 -8.545 2.276 534 HG21 ILE 73 1HG2 ILE 73 2.709 -12.710 1.682 535 HG22 ILE 73 2HG2 ILE 73 1.793 -11.889 2.969 536 HG23 ILE 73 3HG2 ILE 73 1.116 -12.001 1.326 537 HD11 ILE 73 1HD1 ILE 73 0.558 -10.298 3.106 538 HD12 ILE 73 2HD1 ILE 73 0.898 -8.706 3.826 539 HD13 ILE 73 3HD1 ILE 73 0.511 -8.835 2.094 540 H SER 74 H SER 74 3.605 -10.685 -1.274 541 HA SER 74 HA SER 74 5.163 -13.028 -1.875 542 HB2 SER 74 1HB SER 74 2.287 -13.118 -1.587 543 HB3 SER 74 2HB SER 74 2.680 -13.364 -3.278 544 HG SER 74 HG SER 74 2.648 -15.300 -1.718 545 H GLY 75 H GLY 75 6.188 -12.751 -3.846 546 HA2 GLY 75 1HA GLY 75 4.998 -11.412 -6.047 547 HA3 GLY 75 2HA GLY 75 6.101 -10.338 -5.209 548 HA PRO 76 HA PRO 76 9.395 -12.314 -7.220 549 HB2 PRO 76 1HB PRO 76 11.499 -11.710 -5.584 550 HB3 PRO 76 2HB PRO 76 10.833 -10.579 -6.746 551 HG2 PRO 76 1HG PRO 76 10.516 -10.619 -3.807 552 HG3 PRO 76 2HG PRO 76 10.231 -9.299 -4.924 553 HD2 PRO 76 1HD PRO 76 8.245 -10.944 -3.669 554 HD3 PRO 76 2HD PRO 76 7.968 -9.702 -4.874 555 H SER 77 H SER 77 9.347 -14.456 -7.497 556 HA SER 77 HA SER 77 10.351 -15.915 -5.190 557 HB2 SER 77 1HB SER 77 7.819 -16.095 -5.411 558 HB3 SER 77 2HB SER 77 8.063 -16.879 -6.960 559 HG SER 77 HG SER 77 9.112 -17.823 -4.427 560 H SER 78 H SER 78 11.422 -17.983 -5.769 561 HA SER 78 HA SER 78 12.392 -17.850 -8.509 562 HB2 SER 78 1HB SER 78 13.903 -17.765 -6.314 563 HB3 SER 78 2HB SER 78 13.713 -19.506 -6.357 564 HG SER 78 HG SER 78 14.360 -18.418 -8.853 565 H GLY 79 H GLY 79 11.611 -20.260 -5.889 566 HA2 GLY 79 1HA GLY 79 9.804 -21.783 -7.272 567 HA3 GLY 79 2HA GLY 79 11.364 -22.427 -7.746 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -17.064 18.785 5.697 2 HA2 GLY 1 1HA GLY 1 -16.741 16.559 5.680 3 HA3 GLY 1 2HA GLY 1 -15.727 16.848 4.280 4 H SER 2 H SER 2 -14.217 15.186 4.829 5 HA SER 2 HA SER 2 -12.638 15.845 7.193 6 HB2 SER 2 1HB SER 2 -13.608 13.732 7.664 7 HB3 SER 2 2HB SER 2 -13.444 13.176 6.010 8 HG SER 2 HG SER 2 -11.179 12.969 6.293 9 H SER 3 H SER 3 -12.483 14.099 3.996 10 HA SER 3 HA SER 3 -10.358 15.700 3.126 11 HB2 SER 3 1HB SER 3 -8.938 14.440 4.603 12 HB3 SER 3 2HB SER 3 -9.692 12.921 4.163 13 HG SER 3 HG SER 3 -7.491 13.794 3.133 14 H GLY 4 H GLY 4 -11.562 12.266 2.895 15 HA2 GLY 4 1HA GLY 4 -13.133 12.091 0.881 16 HA3 GLY 4 2HA GLY 4 -11.725 12.602 -0.029 17 H SER 5 H SER 5 -13.338 9.973 0.116 18 HA SER 5 HA SER 5 -11.058 8.311 -0.083 19 HB2 SER 5 1HB SER 5 -11.990 8.473 2.482 20 HB3 SER 5 2HB SER 5 -13.002 7.173 1.884 21 HG SER 5 HG SER 5 -10.701 6.741 2.841 22 H SER 6 H SER 6 -11.538 7.145 -1.905 23 HA SER 6 HA SER 6 -14.356 6.558 -2.348 24 HB2 SER 6 1HB SER 6 -12.085 7.304 -4.128 25 HB3 SER 6 2HB SER 6 -13.135 6.052 -4.761 26 HG SER 6 HG SER 6 -14.364 7.706 -5.363 27 H GLY 7 H GLY 7 -15.026 4.410 -2.587 28 HA2 GLY 7 1HA GLY 7 -13.499 2.263 -3.407 29 HA3 GLY 7 2HA GLY 7 -13.266 2.367 -1.673 30 H TRP 8 H TRP 8 -15.271 1.169 -4.161 31 HA TRP 8 HA TRP 8 -17.410 0.672 -2.205 32 HB2 TRP 8 1HB TRP 8 -17.890 2.305 -4.159 33 HB3 TRP 8 2HB TRP 8 -17.906 0.868 -5.162 34 HD1 TRP 8 HD TRP 8 -19.962 -0.904 -4.710 35 HE1 TRP 8 1HE TRP 8 -22.366 -0.683 -3.644 36 HE3 TRP 8 3HE TRP 8 -19.084 3.516 -2.355 37 HZ2 TRP 8 2HZ TRP 8 -23.602 1.273 -1.973 38 HZ3 TRP 8 3HZ TRP 8 -20.942 4.514 -1.027 39 HH2 TRP 8 HH TRP 8 -23.140 3.465 -0.815 40 H GLN 9 H GLN 9 -16.087 -1.255 -1.648 41 HA GLN 9 HA GLN 9 -15.718 -3.393 -1.736 42 HB2 GLN 9 1HB GLN 9 -18.138 -3.150 -3.081 43 HB3 GLN 9 2HB GLN 9 -17.174 -4.057 -4.229 44 HG2 GLN 9 1HG GLN 9 -18.169 -5.726 -2.850 45 HG3 GLN 9 2HG GLN 9 -16.525 -5.601 -2.258 46 HE21 GLN 9 1HE2 GLN 9 -16.083 -4.661 -0.290 47 HE22 GLN 9 2HE2 GLN 9 -17.291 -4.337 0.910 48 H GLY 10 H GLY 10 -13.475 -2.827 -2.251 49 HA2 GLY 10 1HA GLY 10 -11.579 -2.983 -3.446 50 HA3 GLY 10 2HA GLY 10 -12.371 -4.265 -4.340 51 H LEU 11 H LEU 11 -11.189 -1.006 -4.432 52 HA LEU 11 HA LEU 11 -12.349 -0.705 -7.114 53 HB2 LEU 11 1HB LEU 11 -12.884 0.890 -4.946 54 HB3 LEU 11 2HB LEU 11 -11.569 1.755 -5.716 55 HG LEU 11 HG LEU 11 -13.707 2.598 -6.483 56 HD11 LEU 11 1HD1 LEU 11 -12.365 1.025 -8.699 57 HD12 LEU 11 2HD1 LEU 11 -13.364 2.488 -8.875 58 HD13 LEU 11 3HD1 LEU 11 -11.792 2.579 -8.046 59 HD21 LEU 11 1HD2 LEU 11 -14.943 0.833 -8.096 60 HD22 LEU 11 2HD2 LEU 11 -14.310 -0.281 -6.861 61 HD23 LEU 11 3HD2 LEU 11 -15.367 1.069 -6.383 62 H SER 12 H SER 12 -10.895 -0.543 -8.749 63 HA SER 12 HA SER 12 -9.009 -0.375 -9.807 64 HB2 SER 12 1HB SER 12 -8.245 1.364 -7.429 65 HB3 SER 12 2HB SER 12 -7.159 1.113 -8.782 66 HG SER 12 HG SER 12 -8.353 3.011 -9.179 67 H SER 13 H SER 13 -8.528 -2.634 -9.684 68 HA SER 13 HA SER 13 -6.138 -3.206 -8.322 69 HB2 SER 13 1HB SER 13 -8.670 -4.584 -7.322 70 HB3 SER 13 2HB SER 13 -7.043 -5.103 -6.929 71 HG SER 13 HG SER 13 -7.019 -2.534 -6.327 72 H LYS 14 H LYS 14 -5.103 -4.370 -9.899 73 HA LYS 14 HA LYS 14 -6.235 -5.404 -12.126 74 HB2 LYS 14 1HB LYS 14 -3.712 -5.180 -11.167 75 HB3 LYS 14 2HB LYS 14 -3.920 -6.915 -11.039 76 HG2 LYS 14 1HG LYS 14 -4.062 -7.217 -13.332 77 HG3 LYS 14 2HG LYS 14 -4.880 -5.690 -13.595 78 HD2 LYS 14 1HD LYS 14 -2.606 -4.573 -12.956 79 HD3 LYS 14 2HD LYS 14 -1.906 -6.165 -13.168 80 HE2 LYS 14 1HE LYS 14 -3.509 -4.658 -15.291 81 HE3 LYS 14 2HE LYS 14 -1.761 -4.783 -15.251 82 HZ1 LYS 14 1HZ LYS 14 -2.395 -6.482 -16.627 83 HZ2 LYS 14 2HZ LYS 14 -2.222 -7.278 -15.212 84 HZ3 LYS 14 3HZ LYS 14 -3.713 -6.890 -15.753 85 H GLY 15 H GLY 15 -5.471 -7.248 -9.090 86 HA2 GLY 15 1HA GLY 15 -7.718 -8.645 -8.743 87 HA3 GLY 15 2HA GLY 15 -6.988 -9.525 -10.071 88 H ASP 16 H ASP 16 -4.309 -9.595 -9.605 89 HA ASP 16 HA ASP 16 -4.143 -10.683 -6.904 90 HB2 ASP 16 1HB ASP 16 -3.232 -11.766 -9.567 91 HB3 ASP 16 2HB ASP 16 -2.227 -12.105 -8.172 92 H LEU 17 H LEU 17 -3.526 -7.947 -7.728 93 HA LEU 17 HA LEU 17 -0.883 -7.551 -8.463 94 HB2 LEU 17 1HB LEU 17 -2.985 -5.946 -7.080 95 HB3 LEU 17 2HB LEU 17 -1.338 -5.349 -7.071 96 HG LEU 17 HG LEU 17 -2.858 -6.065 -9.592 97 HD11 LEU 17 1HD1 LEU 17 -3.939 -4.210 -8.349 98 HD12 LEU 17 2HD1 LEU 17 -2.406 -3.308 -8.420 99 HD13 LEU 17 3HD1 LEU 17 -3.270 -3.712 -9.922 100 HD21 LEU 17 1HD2 LEU 17 -0.210 -4.689 -9.099 101 HD22 LEU 17 2HD2 LEU 17 -0.522 -6.193 -9.999 102 HD23 LEU 17 3HD2 LEU 17 -1.075 -4.633 -10.654 103 HA PRO 18 HA PRO 18 1.404 -8.372 -4.898 104 HB2 PRO 18 1HB PRO 18 3.377 -6.482 -4.932 105 HB3 PRO 18 2HB PRO 18 3.404 -7.914 -5.941 106 HG2 PRO 18 1HG PRO 18 2.801 -5.121 -6.701 107 HG3 PRO 18 2HG PRO 18 3.247 -6.467 -7.731 108 HD2 PRO 18 1HD PRO 18 0.620 -5.369 -7.384 109 HD3 PRO 18 2HD PRO 18 1.049 -6.786 -8.322 110 H GLN 19 H GLN 19 1.532 -8.131 -2.694 111 HA GLN 19 HA GLN 19 0.616 -5.510 -1.817 112 HB2 GLN 19 1HB GLN 19 -0.395 -8.224 -0.872 113 HB3 GLN 19 2HB GLN 19 -0.694 -6.736 0.004 114 HG2 GLN 19 1HG GLN 19 -1.720 -5.780 -2.133 115 HG3 GLN 19 2HG GLN 19 -1.570 -7.371 -2.851 116 HE21 GLN 19 1HE2 GLN 19 -3.816 -7.451 -3.098 117 HE22 GLN 19 2HE2 GLN 19 -4.884 -7.816 -1.784 118 H VAL 20 H VAL 20 1.689 -4.680 -0.008 119 HA VAL 20 HA VAL 20 3.660 -6.490 1.209 120 HB VAL 20 HB VAL 20 5.199 -4.662 1.337 121 HG11 VAL 20 1HG1 VAL 20 5.919 -4.800 -0.809 122 HG12 VAL 20 2HG1 VAL 20 4.581 -5.964 -0.955 123 HG13 VAL 20 3HG1 VAL 20 4.357 -4.279 -1.484 124 HG21 VAL 20 1HG2 VAL 20 3.247 -2.883 -0.141 125 HG22 VAL 20 2HG2 VAL 20 3.365 -2.908 1.635 126 HG23 VAL 20 3HG2 VAL 20 4.774 -2.435 0.656 127 H GLU 21 H GLU 21 3.746 -6.525 3.441 128 HA GLU 21 HA GLU 21 1.614 -5.060 4.720 129 HB2 GLU 21 1HB GLU 21 1.833 -7.505 5.118 130 HB3 GLU 21 2HB GLU 21 3.440 -7.265 5.776 131 HG2 GLU 21 1HG GLU 21 2.584 -5.997 7.659 132 HG3 GLU 21 2HG GLU 21 0.994 -5.862 6.933 133 H ILE 22 H ILE 22 2.013 -3.131 5.703 134 HA ILE 22 HA ILE 22 4.630 -2.143 5.968 135 HB ILE 22 HB ILE 22 2.065 -1.165 7.228 136 HG12 ILE 22 1HG1 ILE 22 1.893 -1.477 4.771 137 HG13 ILE 22 2HG1 ILE 22 1.737 0.192 5.279 138 HG21 ILE 22 1HG2 ILE 22 4.757 -0.274 7.490 139 HG22 ILE 22 2HG2 ILE 22 3.868 0.928 6.525 140 HG23 ILE 22 3HG2 ILE 22 3.269 0.459 8.134 141 HD11 ILE 22 1HD1 ILE 22 4.418 -0.960 4.418 142 HD12 ILE 22 2HD1 ILE 22 3.267 -0.268 3.250 143 HD13 ILE 22 3HD1 ILE 22 3.945 0.751 4.542 144 H THR 23 H THR 23 6.107 -2.260 7.598 145 HA THR 23 HA THR 23 5.397 -3.946 9.857 146 HB THR 23 HB THR 23 7.857 -3.977 10.178 147 HG1 THR 23 1HG THR 23 9.072 -2.435 9.014 148 HG21 THR 23 1HG2 THR 23 8.452 -5.143 8.234 149 HG22 THR 23 2HG2 THR 23 6.681 -5.168 8.058 150 HG23 THR 23 3HG2 THR 23 7.647 -3.969 7.166 151 H LYS 24 H LYS 24 6.428 -0.572 9.159 152 HA LYS 24 HA LYS 24 5.591 0.054 11.902 153 HB2 LYS 24 1HB LYS 24 7.389 1.701 12.048 154 HB3 LYS 24 2HB LYS 24 8.025 0.085 11.819 155 HG2 LYS 24 1HG LYS 24 7.686 1.016 9.192 156 HG3 LYS 24 2HG LYS 24 8.226 2.443 10.054 157 HD2 LYS 24 1HD LYS 24 10.264 1.408 10.749 158 HD3 LYS 24 2HD LYS 24 9.659 -0.207 10.438 159 HE2 LYS 24 1HE LYS 24 10.114 -0.099 8.174 160 HE3 LYS 24 2HE LYS 24 9.695 1.599 8.059 161 HZ1 LYS 24 1HZ LYS 24 12.213 0.491 8.305 162 HZ2 LYS 24 2HZ LYS 24 11.823 2.073 8.201 163 HZ3 LYS 24 3HZ LYS 24 11.949 1.358 9.663 164 H ALA 25 H ALA 25 4.676 2.214 12.172 165 HA ALA 25 HA ALA 25 2.967 2.878 10.036 166 HB1 ALA 25 1HB ALA 25 3.559 3.818 12.798 167 HB2 ALA 25 2HB ALA 25 2.818 5.015 11.710 168 HB3 ALA 25 3HB ALA 25 1.999 3.465 12.019 169 H PHE 26 H PHE 26 3.326 4.125 8.269 170 HA PHE 26 HA PHE 26 5.777 5.721 8.281 171 HB2 PHE 26 1HB PHE 26 5.485 3.973 6.514 172 HB3 PHE 26 2HB PHE 26 3.899 4.603 6.116 173 HD1 PHE 26 1HD PHE 26 7.193 6.298 6.603 174 HD2 PHE 26 2HD PHE 26 3.970 5.456 3.975 175 HE1 PHE 26 1HE PHE 26 8.222 7.787 4.864 176 HE2 PHE 26 2HE PHE 26 4.998 6.945 2.236 177 HZ PHE 26 HZ PHE 26 7.112 8.093 2.701 178 H PHE 27 H PHE 27 5.564 7.880 8.603 179 HA PHE 27 HA PHE 27 2.955 9.069 8.299 180 HB2 PHE 27 1HB PHE 27 5.737 10.121 9.093 181 HB3 PHE 27 2HB PHE 27 4.263 11.056 9.244 182 HD1 PHE 27 1HD PHE 27 2.381 9.098 10.355 183 HD2 PHE 27 2HD PHE 27 6.476 9.749 11.258 184 HE1 PHE 27 1HE PHE 27 2.022 8.161 12.656 185 HE2 PHE 27 2HE PHE 27 6.117 8.812 13.559 186 HZ PHE 27 HZ PHE 27 3.894 8.030 14.231 187 H ALA 28 H ALA 28 2.295 9.726 6.305 188 HA ALA 28 HA ALA 28 4.169 10.264 4.237 189 HB1 ALA 28 1HB ALA 28 2.097 9.331 3.580 190 HB2 ALA 28 2HB ALA 28 1.164 10.486 4.563 191 HB3 ALA 28 3HB ALA 28 1.986 11.036 3.083 192 H LYS 29 H LYS 29 5.217 12.139 3.791 193 HA LYS 29 HA LYS 29 4.282 14.520 5.220 194 HB2 LYS 29 1HB LYS 29 6.527 15.328 5.121 195 HB3 LYS 29 2HB LYS 29 6.580 13.678 5.708 196 HG2 LYS 29 1HG LYS 29 6.730 13.780 2.771 197 HG3 LYS 29 2HG LYS 29 8.006 14.727 3.511 198 HD2 LYS 29 1HD LYS 29 7.570 12.096 4.819 199 HD3 LYS 29 2HD LYS 29 8.062 11.970 3.142 200 HE2 LYS 29 1HE LYS 29 10.178 12.169 4.020 201 HE3 LYS 29 2HE LYS 29 9.825 13.884 3.967 202 HZ1 LYS 29 1HZ LYS 29 10.588 12.839 6.146 203 HZ2 LYS 29 2HZ LYS 29 9.364 13.919 6.198 204 HZ3 LYS 29 3HZ LYS 29 9.048 12.320 6.303 205 H GLN 30 H GLN 30 4.908 13.060 2.050 206 HA GLN 30 HA GLN 30 4.624 15.581 0.729 207 HB2 GLN 30 1HB GLN 30 5.136 12.733 -0.122 208 HB3 GLN 30 2HB GLN 30 4.550 13.869 -1.322 209 HG2 GLN 30 1HG GLN 30 6.608 15.238 0.111 210 HG3 GLN 30 2HG GLN 30 7.223 13.625 -0.188 211 HE21 GLN 30 1HE2 GLN 30 7.180 16.624 -1.362 212 HE22 GLN 30 2HE2 GLN 30 7.331 16.356 -3.067 213 H ALA 31 H ALA 31 3.002 15.448 -1.334 214 HA ALA 31 HA ALA 31 0.401 14.969 -0.125 215 HB1 ALA 31 1HB ALA 31 -0.407 16.318 -2.041 216 HB2 ALA 31 2HB ALA 31 0.875 17.160 -1.138 217 HB3 ALA 31 3HB ALA 31 1.249 16.374 -2.691 218 H ASP 32 H ASP 32 2.644 13.152 -1.759 219 HA ASP 32 HA ASP 32 0.584 11.811 -3.322 220 HB2 ASP 32 1HB ASP 32 3.173 12.639 -4.025 221 HB3 ASP 32 2HB ASP 32 3.380 10.929 -3.708 222 H GLU 33 H GLU 33 2.648 11.711 -0.526 223 HA GLU 33 HA GLU 33 2.987 8.914 -0.414 224 HB2 GLU 33 1HB GLU 33 3.386 11.205 1.524 225 HB3 GLU 33 2HB GLU 33 3.501 9.553 2.098 226 HG2 GLU 33 1HG GLU 33 5.224 9.072 0.336 227 HG3 GLU 33 2HG GLU 33 5.121 10.735 -0.208 228 H VAL 34 H VAL 34 2.113 7.591 1.523 229 HA VAL 34 HA VAL 34 -0.588 8.461 2.238 230 HB VAL 34 HB VAL 34 -0.958 7.055 0.377 231 HG11 VAL 34 1HG1 VAL 34 0.515 5.531 -0.311 232 HG12 VAL 34 2HG1 VAL 34 1.474 5.806 1.163 233 HG13 VAL 34 3HG1 VAL 34 0.213 4.550 1.143 234 HG21 VAL 34 1HG2 VAL 34 -2.399 5.478 1.286 235 HG22 VAL 34 2HG2 VAL 34 -1.290 5.076 2.619 236 HG23 VAL 34 3HG2 VAL 34 -2.189 6.612 2.641 237 H THR 35 H THR 35 -1.008 8.209 4.387 238 HA THR 35 HA THR 35 1.090 7.245 6.061 239 HB THR 35 HB THR 35 -1.748 7.845 6.956 240 HG1 THR 35 1HG THR 35 0.359 9.746 6.232 241 HG21 THR 35 1HG2 THR 35 1.029 8.671 7.957 242 HG22 THR 35 2HG2 THR 35 -0.517 9.109 8.724 243 HG23 THR 35 3HG2 THR 35 0.008 7.409 8.688 244 H LEU 36 H LEU 36 1.418 5.304 6.990 245 HA LEU 36 HA LEU 36 -0.767 3.362 6.710 246 HB2 LEU 36 1HB LEU 36 2.102 2.533 6.530 247 HB3 LEU 36 2HB LEU 36 0.663 1.704 5.971 248 HG LEU 36 HG LEU 36 1.320 4.304 4.666 249 HD11 LEU 36 1HD1 LEU 36 2.724 1.961 3.518 250 HD12 LEU 36 2HD1 LEU 36 3.188 3.678 3.565 251 HD13 LEU 36 3HD1 LEU 36 3.424 2.653 5.001 252 HD21 LEU 36 1HD2 LEU 36 -0.428 3.537 3.504 253 HD22 LEU 36 2HD2 LEU 36 0.744 2.446 2.726 254 HD23 LEU 36 3HD2 LEU 36 -0.223 1.874 4.107 255 H GLN 37 H GLN 37 -0.175 1.349 8.229 256 HA GLN 37 HA GLN 37 0.938 2.424 10.690 257 HB2 GLN 37 1HB GLN 37 -1.747 1.030 10.359 258 HB3 GLN 37 2HB GLN 37 -0.942 1.154 11.911 259 HG2 GLN 37 1HG GLN 37 -1.379 3.641 10.226 260 HG3 GLN 37 2HG GLN 37 -2.685 3.006 11.206 261 HE21 GLN 37 1HE2 GLN 37 -0.893 5.447 11.295 262 HE22 GLN 37 2HE2 GLN 37 -0.317 5.537 12.926 263 H GLN 38 H GLN 38 1.474 0.616 12.299 264 HA GLN 38 HA GLN 38 3.042 -1.258 11.036 265 HB2 GLN 38 1HB GLN 38 3.488 -0.536 13.319 266 HB3 GLN 38 2HB GLN 38 1.944 -1.149 13.876 267 HG2 GLN 38 1HG GLN 38 3.294 -3.322 12.557 268 HG3 GLN 38 2HG GLN 38 4.457 -2.562 13.625 269 HE21 GLN 38 1HE2 GLN 38 4.561 -4.045 15.194 270 HE22 GLN 38 2HE2 GLN 38 3.253 -4.509 16.231 271 H ALA 39 H ALA 39 2.602 -3.201 10.077 272 HA ALA 39 HA ALA 39 1.585 -5.114 9.589 273 HB1 ALA 39 1HB ALA 39 -0.600 -5.301 11.413 274 HB2 ALA 39 2HB ALA 39 0.948 -6.177 11.460 275 HB3 ALA 39 3HB ALA 39 0.779 -4.622 12.310 276 H ASP 40 H ASP 40 1.005 -2.851 8.133 277 HA ASP 40 HA ASP 40 -1.886 -3.032 7.808 278 HB2 ASP 40 1HB ASP 40 0.126 -0.820 7.330 279 HB3 ASP 40 2HB ASP 40 -1.352 -0.836 6.390 280 H VAL 41 H VAL 41 -2.678 -3.529 5.679 281 HA VAL 41 HA VAL 41 -0.611 -4.446 3.828 282 HB VAL 41 HB VAL 41 -3.549 -5.054 4.159 283 HG11 VAL 41 1HG1 VAL 41 -1.667 -5.815 1.911 284 HG12 VAL 41 2HG1 VAL 41 -3.151 -6.725 2.282 285 HG13 VAL 41 3HG1 VAL 41 -3.252 -5.014 1.803 286 HG21 VAL 41 1HG2 VAL 41 -1.321 -6.139 5.388 287 HG22 VAL 41 2HG2 VAL 41 -2.911 -6.922 5.227 288 HG23 VAL 41 3HG2 VAL 41 -1.626 -7.266 4.044 289 H VAL 42 H VAL 42 -0.408 -3.623 1.746 290 HA VAL 42 HA VAL 42 -2.333 -1.559 0.978 291 HB VAL 42 HB VAL 42 0.663 -1.292 1.184 292 HG11 VAL 42 1HG1 VAL 42 -0.185 -0.560 -1.077 293 HG12 VAL 42 2HG1 VAL 42 -1.181 0.652 -0.236 294 HG13 VAL 42 3HG1 VAL 42 0.593 0.718 -0.113 295 HG21 VAL 42 1HG2 VAL 42 0.272 0.098 2.898 296 HG22 VAL 42 2HG2 VAL 42 -1.027 0.945 2.025 297 HG23 VAL 42 3HG2 VAL 42 -1.382 -0.559 2.908 298 H LEU 43 H LEU 43 -2.882 -1.621 -1.181 299 HA LEU 43 HA LEU 43 -1.799 -3.855 -2.661 300 HB2 LEU 43 1HB LEU 43 -4.236 -3.386 -2.462 301 HB3 LEU 43 2HB LEU 43 -3.997 -1.915 -3.384 302 HG LEU 43 HG LEU 43 -3.152 -3.294 -5.291 303 HD11 LEU 43 1HD1 LEU 43 -3.503 -5.445 -3.300 304 HD12 LEU 43 2HD1 LEU 43 -4.121 -5.806 -4.930 305 HD13 LEU 43 3HD1 LEU 43 -2.419 -5.336 -4.708 306 HD21 LEU 43 1HD2 LEU 43 -5.235 -3.524 -6.150 307 HD22 LEU 43 2HD2 LEU 43 -5.856 -4.388 -4.723 308 HD23 LEU 43 3HD2 LEU 43 -5.672 -2.618 -4.682 309 H VAL 44 H VAL 44 0.076 -3.585 -3.745 310 HA VAL 44 HA VAL 44 1.078 -1.043 -4.406 311 HB VAL 44 HB VAL 44 1.805 -3.836 -5.304 312 HG11 VAL 44 1HG1 VAL 44 3.913 -1.809 -5.451 313 HG12 VAL 44 2HG1 VAL 44 3.425 -3.043 -6.637 314 HG13 VAL 44 3HG1 VAL 44 2.563 -1.487 -6.566 315 HG21 VAL 44 1HG2 VAL 44 2.627 -2.065 -3.024 316 HG22 VAL 44 2HG2 VAL 44 2.275 -3.810 -3.044 317 HG23 VAL 44 3HG2 VAL 44 3.808 -3.203 -3.714 318 H LEU 45 H LEU 45 1.082 0.127 -6.333 319 HA LEU 45 HA LEU 45 -0.611 -1.000 -8.453 320 HB2 LEU 45 1HB LEU 45 -0.530 1.803 -7.344 321 HB3 LEU 45 2HB LEU 45 -1.243 1.412 -8.896 322 HG LEU 45 HG LEU 45 -2.187 -0.154 -6.540 323 HD11 LEU 45 1HD1 LEU 45 -2.354 1.819 -5.383 324 HD12 LEU 45 2HD1 LEU 45 -2.561 2.799 -6.854 325 HD13 LEU 45 3HD1 LEU 45 -3.911 1.811 -6.246 326 HD21 LEU 45 1HD2 LEU 45 -3.587 1.059 -8.940 327 HD22 LEU 45 2HD2 LEU 45 -3.051 -0.630 -8.770 328 HD23 LEU 45 3HD2 LEU 45 -4.334 0.007 -7.713 329 H GLN 46 H GLN 46 2.154 1.106 -7.527 330 HA GLN 46 HA GLN 46 3.281 0.473 -10.122 331 HB2 GLN 46 1HB GLN 46 2.522 3.164 -9.147 332 HB3 GLN 46 2HB GLN 46 4.180 3.072 -9.705 333 HG2 GLN 46 1HG GLN 46 3.532 2.949 -11.881 334 HG3 GLN 46 2HG GLN 46 2.423 1.634 -11.545 335 HE21 GLN 46 1HE2 GLN 46 0.287 2.025 -11.095 336 HE22 GLN 46 2HE2 GLN 46 -0.490 3.551 -11.354 337 H GLN 47 H GLN 47 5.134 -0.628 -9.663 338 HA GLN 47 HA GLN 47 6.430 -0.081 -7.154 339 HB2 GLN 47 1HB GLN 47 6.378 -2.302 -9.124 340 HB3 GLN 47 2HB GLN 47 7.952 -2.025 -8.406 341 HG2 GLN 47 1HG GLN 47 6.807 -2.044 -6.113 342 HG3 GLN 47 2HG GLN 47 5.336 -2.549 -6.922 343 HE21 GLN 47 1HE2 GLN 47 8.800 -3.342 -6.735 344 HE22 GLN 47 2HE2 GLN 47 8.636 -5.066 -6.786 345 H GLU 48 H GLU 48 7.936 1.525 -7.045 346 HA GLU 48 HA GLU 48 9.595 1.877 -9.421 347 HB2 GLU 48 1HB GLU 48 7.955 3.766 -8.909 348 HB3 GLU 48 2HB GLU 48 8.843 4.055 -7.426 349 HG2 GLU 48 1HG GLU 48 10.883 3.960 -9.328 350 HG3 GLU 48 2HG GLU 48 9.578 4.715 -10.221 351 H ASP 49 H ASP 49 11.807 1.763 -9.125 352 HA ASP 49 HA ASP 49 12.817 0.634 -6.875 353 HB2 ASP 49 1HB ASP 49 14.297 0.491 -8.650 354 HB3 ASP 49 2HB ASP 49 13.920 2.100 -9.232 355 H GLY 50 H GLY 50 12.540 1.606 -4.833 356 HA2 GLY 50 1HA GLY 50 13.782 3.184 -3.410 357 HA3 GLY 50 2HA GLY 50 13.394 4.429 -4.581 358 H TRP 51 H TRP 51 10.665 3.620 -5.184 359 HA TRP 51 HA TRP 51 9.341 3.769 -2.587 360 HB2 TRP 51 1HB TRP 51 9.082 5.811 -4.792 361 HB3 TRP 51 2HB TRP 51 7.860 5.588 -3.555 362 HD1 TRP 51 HD TRP 51 11.602 6.626 -3.817 363 HE1 TRP 51 1HE TRP 51 12.285 8.175 -1.792 364 HE3 TRP 51 3HE TRP 51 7.184 6.219 -1.334 365 HZ2 TRP 51 2HZ TRP 51 10.931 9.036 0.567 366 HZ3 TRP 51 3HZ TRP 51 6.947 7.445 0.824 367 HH2 TRP 51 HH TRP 51 8.730 8.817 1.779 368 H LEU 52 H LEU 52 7.427 2.580 -2.586 369 HA LEU 52 HA LEU 52 6.674 1.447 -5.190 370 HB2 LEU 52 1HB LEU 52 6.160 0.172 -2.514 371 HB3 LEU 52 2HB LEU 52 6.066 -0.553 -4.107 372 HG LEU 52 HG LEU 52 8.023 -1.327 -2.858 373 HD11 LEU 52 1HD1 LEU 52 9.794 -0.484 -4.621 374 HD12 LEU 52 2HD1 LEU 52 8.454 -1.555 -5.096 375 HD13 LEU 52 3HD1 LEU 52 8.351 0.194 -5.413 376 HD21 LEU 52 1HD2 LEU 52 8.234 1.037 -1.716 377 HD22 LEU 52 2HD2 LEU 52 9.660 -0.002 -1.953 378 HD23 LEU 52 3HD2 LEU 52 9.347 1.349 -3.070 379 H TYR 53 H TYR 53 4.824 2.271 -5.988 380 HA TYR 53 HA TYR 53 3.052 3.702 -4.224 381 HB2 TYR 53 1HB TYR 53 3.824 4.232 -6.675 382 HB3 TYR 53 2HB TYR 53 2.811 2.896 -7.186 383 HD1 TYR 53 2HD TYR 53 2.432 5.884 -4.929 384 HD2 TYR 53 1HD TYR 53 0.778 3.522 -8.090 385 HE1 TYR 53 2HE TYR 53 0.429 7.445 -5.058 386 HE2 TYR 53 1HE TYR 53 -1.219 5.091 -8.208 387 HH TYR 53 HH TYR 53 -2.307 6.774 -6.196 388 H GLY 54 H GLY 54 0.866 3.196 -3.779 389 HA2 GLY 54 1HA GLY 54 -0.432 0.918 -4.872 390 HA3 GLY 54 2HA GLY 54 0.245 0.542 -3.300 391 H GLU 55 H GLU 55 -2.283 0.279 -3.034 392 HA GLU 55 HA GLU 55 -3.236 2.849 -2.041 393 HB2 GLU 55 1HB GLU 55 -4.553 2.390 -4.000 394 HB3 GLU 55 2HB GLU 55 -4.761 0.705 -3.564 395 HG2 GLU 55 1HG GLU 55 -5.721 2.692 -1.540 396 HG3 GLU 55 2HG GLU 55 -6.620 2.650 -3.044 397 H ARG 56 H ARG 56 -3.655 2.840 0.129 398 HA ARG 56 HA ARG 56 -3.308 0.449 1.548 399 HB2 ARG 56 1HB ARG 56 -2.827 2.895 2.301 400 HB3 ARG 56 2HB ARG 56 -4.541 3.018 2.643 401 HG2 ARG 56 1HG ARG 56 -4.431 1.215 4.278 402 HG3 ARG 56 2HG ARG 56 -2.797 0.799 3.800 403 HD2 ARG 56 1HD ARG 56 -2.865 2.138 5.924 404 HD3 ARG 56 2HD ARG 56 -1.929 2.924 4.668 405 HE ARG 56 HE ARG 56 -4.354 4.051 4.229 406 HH11 ARG 56 2HH2 ARG 56 -2.625 3.492 7.242 407 HH12 ARG 56 1HH2 ARG 56 -3.330 4.853 8.048 408 HH21 ARG 56 2HH1 ARG 56 -5.285 5.847 5.292 409 HH22 ARG 56 1HH1 ARG 56 -4.853 6.202 6.931 410 H LEU 57 H LEU 57 -4.867 -1.156 1.494 411 HA LEU 57 HA LEU 57 -7.518 -0.761 0.831 412 HB2 LEU 57 1HB LEU 57 -6.199 -2.960 2.426 413 HB3 LEU 57 2HB LEU 57 -7.843 -3.026 1.823 414 HG LEU 57 HG LEU 57 -6.606 -4.258 0.276 415 HD11 LEU 57 1HD1 LEU 57 -6.444 -1.670 -1.208 416 HD12 LEU 57 2HD1 LEU 57 -7.104 -3.245 -1.711 417 HD13 LEU 57 3HD1 LEU 57 -8.029 -2.207 -0.600 418 HD21 LEU 57 1HD2 LEU 57 -4.388 -3.257 1.205 419 HD22 LEU 57 2HD2 LEU 57 -4.449 -3.879 -0.461 420 HD23 LEU 57 3HD2 LEU 57 -4.536 -2.127 -0.162 421 H ARG 58 H ARG 58 -5.807 -0.004 3.757 422 HA ARG 58 HA ARG 58 -7.676 -0.397 5.664 423 HB2 ARG 58 1HB ARG 58 -5.341 0.496 6.008 424 HB3 ARG 58 2HB ARG 58 -5.855 2.048 5.377 425 HG2 ARG 58 1HG ARG 58 -6.837 2.647 7.346 426 HG3 ARG 58 2HG ARG 58 -7.657 1.106 7.503 427 HD2 ARG 58 1HD ARG 58 -5.483 0.078 8.305 428 HD3 ARG 58 2HD ARG 58 -4.742 1.664 8.239 429 HE ARG 58 HE ARG 58 -5.869 2.253 10.207 430 HH11 ARG 58 2HH2 ARG 58 -7.371 -0.614 8.827 431 HH12 ARG 58 1HH2 ARG 58 -8.400 -0.889 10.193 432 HH21 ARG 58 2HH1 ARG 58 -7.226 1.891 12.010 433 HH22 ARG 58 1HH1 ARG 58 -8.317 0.545 12.016 434 H ASP 59 H ASP 59 -7.128 2.764 3.922 435 HA ASP 59 HA ASP 59 -9.933 3.344 4.446 436 HB2 ASP 59 1HB ASP 59 -7.433 4.973 4.348 437 HB3 ASP 59 2HB ASP 59 -8.823 5.725 3.590 438 H GLY 60 H GLY 60 -7.374 2.875 2.047 439 HA2 GLY 60 1HA GLY 60 -7.853 2.269 -0.166 440 HA3 GLY 60 2HA GLY 60 -9.345 3.187 -0.108 441 H GLU 61 H GLU 61 -6.342 4.530 1.244 442 HA GLU 61 HA GLU 61 -6.505 6.603 -0.751 443 HB2 GLU 61 1HB GLU 61 -6.271 7.585 1.352 444 HB3 GLU 61 2HB GLU 61 -5.233 6.311 1.959 445 HG2 GLU 61 1HG GLU 61 -3.304 7.216 0.993 446 HG3 GLU 61 2HG GLU 61 -4.181 7.973 -0.321 447 H THR 62 H THR 62 -5.247 6.578 -2.561 448 HA THR 62 HA THR 62 -3.027 4.695 -2.647 449 HB THR 62 HB THR 62 -3.841 6.408 -4.985 450 HG1 THR 62 1HG THR 62 -5.375 4.224 -3.757 451 HG21 THR 62 1HG2 THR 62 -2.997 3.564 -4.421 452 HG22 THR 62 2HG2 THR 62 -4.079 3.844 -5.806 453 HG23 THR 62 3HG2 THR 62 -2.491 4.647 -5.740 454 H GLY 63 H GLY 63 -1.005 5.255 -2.179 455 HA2 GLY 63 1HA GLY 63 -0.086 7.925 -2.953 456 HA3 GLY 63 2HA GLY 63 0.002 7.493 -1.257 457 H TRP 64 H TRP 64 2.412 7.960 -1.971 458 HA TRP 64 HA TRP 64 3.593 5.581 -3.186 459 HB2 TRP 64 1HB TRP 64 4.575 8.377 -2.668 460 HB3 TRP 64 2HB TRP 64 5.690 7.071 -3.018 461 HD1 TRP 64 HD TRP 64 3.049 9.260 -4.731 462 HE1 TRP 64 1HE TRP 64 3.115 8.985 -7.355 463 HE3 TRP 64 3HE TRP 64 6.279 5.333 -4.764 464 HZ2 TRP 64 2HZ TRP 64 4.481 7.197 -9.110 465 HZ3 TRP 64 3HZ TRP 64 6.928 4.382 -6.974 466 HH2 TRP 64 HH TRP 64 6.084 5.250 -9.098 467 H PHE 65 H PHE 65 4.666 4.074 -1.945 468 HA PHE 65 HA PHE 65 5.383 4.867 0.777 469 HB2 PHE 65 1HB PHE 65 4.223 2.952 1.653 470 HB3 PHE 65 2HB PHE 65 3.116 3.545 0.431 471 HD1 PHE 65 2HD PHE 65 5.916 1.121 0.859 472 HD2 PHE 65 1HD PHE 65 2.330 2.087 -1.193 473 HE1 PHE 65 2HE PHE 65 5.955 -1.123 -0.265 474 HE2 PHE 65 1HE PHE 65 2.369 -0.157 -2.317 475 HZ PHE 65 HZ PHE 65 4.181 -1.735 -1.840 476 HA PRO 66 HA PRO 66 9.023 2.814 -0.447 477 HB2 PRO 66 1HB PRO 66 10.419 3.048 1.891 478 HB3 PRO 66 2HB PRO 66 10.339 4.323 0.690 479 HG2 PRO 66 1HG PRO 66 8.955 4.141 3.296 480 HG3 PRO 66 2HG PRO 66 9.229 5.553 2.294 481 HD2 PRO 66 1HD PRO 66 6.774 4.095 2.572 482 HD3 PRO 66 2HD PRO 66 7.080 5.434 1.485 483 H GLU 67 H GLU 67 10.143 0.837 -0.335 484 HA GLU 67 HA GLU 67 8.482 -1.163 0.727 485 HB2 GLU 67 1HB GLU 67 10.506 -2.650 0.066 486 HB3 GLU 67 2HB GLU 67 9.678 -1.781 -1.211 487 HG2 GLU 67 1HG GLU 67 11.537 -0.573 -1.714 488 HG3 GLU 67 2HG GLU 67 11.766 -0.101 -0.041 489 H ASP 68 H ASP 68 11.445 0.512 1.814 490 HA ASP 68 HA ASP 68 12.365 -1.184 3.686 491 HB2 ASP 68 1HB ASP 68 12.684 1.541 3.025 492 HB3 ASP 68 2HB ASP 68 12.220 1.574 4.715 493 H PHE 69 H PHE 69 9.422 0.823 3.684 494 HA PHE 69 HA PHE 69 8.924 0.156 6.485 495 HB2 PHE 69 1HB PHE 69 7.624 2.041 4.428 496 HB3 PHE 69 2HB PHE 69 7.042 1.875 6.073 497 HD1 PHE 69 2HD PHE 69 10.251 2.579 4.287 498 HD2 PHE 69 1HD PHE 69 7.750 3.440 7.605 499 HE1 PHE 69 2HE PHE 69 11.855 4.359 5.034 500 HE2 PHE 69 1HE PHE 69 9.354 5.220 8.352 501 HZ PHE 69 HZ PHE 69 11.387 5.658 7.057 502 H ALA 70 H ALA 70 8.752 -1.796 4.174 503 HA ALA 70 HA ALA 70 6.150 -2.807 4.860 504 HB1 ALA 70 1HB ALA 70 5.039 -2.213 3.000 505 HB2 ALA 70 2HB ALA 70 6.427 -1.197 2.540 506 HB3 ALA 70 3HB ALA 70 6.330 -2.882 1.973 507 H ARG 71 H ARG 71 5.860 -5.053 3.872 508 HA ARG 71 HA ARG 71 8.456 -6.185 3.231 509 HB2 ARG 71 1HB ARG 71 6.563 -6.948 5.451 510 HB3 ARG 71 2HB ARG 71 7.389 -8.255 4.627 511 HG2 ARG 71 1HG ARG 71 9.562 -6.808 5.005 512 HG3 ARG 71 2HG ARG 71 8.601 -5.958 6.198 513 HD2 ARG 71 1HD ARG 71 8.918 -8.996 6.189 514 HD3 ARG 71 2HD ARG 71 9.978 -7.931 7.091 515 HE ARG 71 HE ARG 71 7.513 -7.094 7.943 516 HH11 ARG 71 2HH2 ARG 71 8.937 -10.299 7.659 517 HH12 ARG 71 1HH2 ARG 71 8.017 -10.963 8.969 518 HH21 ARG 71 2HH1 ARG 71 6.300 -7.969 9.670 519 HH22 ARG 71 1HH1 ARG 71 6.508 -9.628 10.120 520 H PHE 72 H PHE 72 8.178 -6.918 1.138 521 HA PHE 72 HA PHE 72 5.775 -7.389 -0.085 522 HB2 PHE 72 1HB PHE 72 8.681 -8.132 -0.409 523 HB3 PHE 72 2HB PHE 72 7.565 -9.099 -1.353 524 HD1 PHE 72 1HD PHE 72 6.040 -7.945 -2.992 525 HD2 PHE 72 2HD PHE 72 9.239 -5.930 -1.065 526 HE1 PHE 72 1HE PHE 72 5.960 -6.145 -4.740 527 HE2 PHE 72 2HE PHE 72 9.159 -4.131 -2.813 528 HZ PHE 72 HZ PHE 72 7.521 -4.260 -4.630 529 H ILE 73 H ILE 73 4.199 -8.761 0.644 530 HA ILE 73 HA ILE 73 4.715 -11.044 2.160 531 HB ILE 73 HB ILE 73 2.300 -10.296 0.507 532 HG12 ILE 73 1HG1 ILE 73 2.969 -9.753 3.415 533 HG13 ILE 73 2HG1 ILE 73 2.916 -8.565 2.128 534 HG21 ILE 73 1HG2 ILE 73 1.041 -11.853 1.789 535 HG22 ILE 73 2HG2 ILE 73 2.465 -12.721 1.167 536 HG23 ILE 73 3HG2 ILE 73 2.419 -12.188 2.865 537 HD11 ILE 73 1HD1 ILE 73 0.813 -8.636 3.516 538 HD12 ILE 73 2HD1 ILE 73 0.522 -8.937 1.786 539 HD13 ILE 73 3HD1 ILE 73 0.535 -10.296 2.936 540 H SER 74 H SER 74 3.856 -10.683 -1.351 541 HA SER 74 HA SER 74 5.534 -12.909 -1.927 542 HB2 SER 74 1HB SER 74 2.717 -13.353 -1.502 543 HB3 SER 74 2HB SER 74 3.040 -13.564 -3.212 544 HG SER 74 HG SER 74 4.465 -14.871 -1.052 545 H GLY 75 H GLY 75 6.461 -12.542 -3.927 546 HA2 GLY 75 1HA GLY 75 5.021 -10.717 -5.759 547 HA3 GLY 75 2HA GLY 75 6.735 -10.567 -5.423 548 HA PRO 76 HA PRO 76 7.492 -13.450 -8.574 549 HB2 PRO 76 1HB PRO 76 9.992 -14.340 -7.922 550 HB3 PRO 76 2HB PRO 76 9.699 -12.815 -8.734 551 HG2 PRO 76 1HG PRO 76 10.437 -13.302 -5.913 552 HG3 PRO 76 2HG PRO 76 10.555 -11.818 -6.838 553 HD2 PRO 76 1HD PRO 76 8.566 -12.463 -4.874 554 HD3 PRO 76 2HD PRO 76 8.618 -11.030 -5.882 555 H SER 77 H SER 77 6.477 -15.298 -8.990 556 HA SER 77 HA SER 77 6.872 -17.318 -6.921 557 HB2 SER 77 1HB SER 77 4.437 -16.153 -7.907 558 HB3 SER 77 2HB SER 77 4.471 -17.819 -8.449 559 HG SER 77 HG SER 77 4.932 -18.438 -6.193 560 H SER 78 H SER 78 7.345 -19.448 -7.632 561 HA SER 78 HA SER 78 7.613 -19.695 -10.526 562 HB2 SER 78 1HB SER 78 9.534 -20.346 -8.306 563 HB3 SER 78 2HB SER 78 9.512 -21.420 -9.690 564 HG SER 78 HG SER 78 10.093 -18.595 -9.628 565 H GLY 79 H GLY 79 7.767 -22.162 -11.168 566 HA2 GLY 79 1HA GLY 79 6.910 -24.248 -11.134 567 HA3 GLY 79 2HA GLY 79 6.627 -24.086 -9.412 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -4.373 22.095 -10.770 2 HA2 GLY 1 1HA GLY 1 -5.523 19.664 -9.657 3 HA3 GLY 1 2HA GLY 1 -5.557 21.278 -8.975 4 H SER 2 H SER 2 -7.714 19.142 -9.639 5 HA SER 2 HA SER 2 -9.730 20.925 -10.198 6 HB2 SER 2 1HB SER 2 -8.390 20.361 -12.552 7 HB3 SER 2 2HB SER 2 -9.658 19.151 -12.581 8 HG SER 2 HG SER 2 -11.246 20.797 -12.418 9 H SER 3 H SER 3 -11.877 19.624 -10.742 10 HA SER 3 HA SER 3 -11.924 17.479 -8.918 11 HB2 SER 3 1HB SER 3 -14.354 17.323 -9.647 12 HB3 SER 3 2HB SER 3 -13.862 18.894 -9.046 13 HG SER 3 HG SER 3 -14.046 18.138 -11.839 14 H GLY 4 H GLY 4 -12.240 15.227 -9.323 15 HA2 GLY 4 1HA GLY 4 -12.336 14.338 -12.107 16 HA3 GLY 4 2HA GLY 4 -10.922 13.898 -11.170 17 H SER 5 H SER 5 -11.975 11.679 -11.836 18 HA SER 5 HA SER 5 -14.058 11.003 -9.929 19 HB2 SER 5 1HB SER 5 -13.056 9.667 -12.470 20 HB3 SER 5 2HB SER 5 -14.107 8.828 -11.347 21 HG SER 5 HG SER 5 -14.703 10.861 -13.173 22 H SER 6 H SER 6 -13.810 8.574 -9.092 23 HA SER 6 HA SER 6 -11.416 8.544 -7.631 24 HB2 SER 6 1HB SER 6 -13.964 7.251 -7.550 25 HB3 SER 6 2HB SER 6 -12.766 5.973 -7.602 26 HG SER 6 HG SER 6 -12.274 6.389 -5.567 27 H GLY 7 H GLY 7 -12.805 6.249 -10.100 28 HA2 GLY 7 1HA GLY 7 -10.990 5.853 -11.889 29 HA3 GLY 7 2HA GLY 7 -10.097 5.182 -10.539 30 H TRP 8 H TRP 8 -11.913 4.284 -13.126 31 HA TRP 8 HA TRP 8 -13.734 2.444 -11.995 32 HB2 TRP 8 1HB TRP 8 -12.686 3.097 -14.690 33 HB3 TRP 8 2HB TRP 8 -13.314 1.476 -14.473 34 HD1 TRP 8 HD TRP 8 -14.487 5.107 -14.686 35 HE1 TRP 8 1HE TRP 8 -17.118 5.278 -14.808 36 HE3 TRP 8 3HE TRP 8 -15.378 0.209 -13.653 37 HZ2 TRP 8 2HZ TRP 8 -19.228 3.388 -14.467 38 HZ3 TRP 8 3HZ TRP 8 -17.752 -0.547 -13.566 39 HH2 TRP 8 HH TRP 8 -19.642 0.954 -13.953 40 H GLN 9 H GLN 9 -13.489 0.193 -11.622 41 HA GLN 9 HA GLN 9 -10.765 -0.568 -11.159 42 HB2 GLN 9 1HB GLN 9 -13.216 -1.102 -9.903 43 HB3 GLN 9 2HB GLN 9 -12.812 -2.627 -10.667 44 HG2 GLN 9 1HG GLN 9 -10.412 -2.237 -9.647 45 HG3 GLN 9 2HG GLN 9 -11.209 -1.069 -8.612 46 HE21 GLN 9 1HE2 GLN 9 -10.195 -4.153 -8.808 47 HE22 GLN 9 2HE2 GLN 9 -11.260 -4.948 -7.697 48 H GLY 10 H GLY 10 -10.120 -2.932 -11.764 49 HA2 GLY 10 1HA GLY 10 -9.447 -4.174 -13.543 50 HA3 GLY 10 2HA GLY 10 -11.159 -4.537 -13.625 51 H LEU 11 H LEU 11 -8.498 -2.622 -14.988 52 HA LEU 11 HA LEU 11 -10.287 -1.904 -17.206 53 HB2 LEU 11 1HB LEU 11 -8.627 -0.239 -15.516 54 HB3 LEU 11 2HB LEU 11 -8.139 -0.108 -17.195 55 HG LEU 11 HG LEU 11 -10.641 0.294 -17.700 56 HD11 LEU 11 1HD1 LEU 11 -10.901 1.379 -14.945 57 HD12 LEU 11 2HD1 LEU 11 -12.133 0.726 -16.051 58 HD13 LEU 11 3HD1 LEU 11 -11.076 -0.381 -15.143 59 HD21 LEU 11 1HD2 LEU 11 -8.890 2.297 -16.261 60 HD22 LEU 11 2HD2 LEU 11 -9.062 2.041 -18.014 61 HD23 LEU 11 3HD2 LEU 11 -10.413 2.725 -17.077 62 H SER 12 H SER 12 -6.751 -2.163 -16.383 63 HA SER 12 HA SER 12 -6.517 -3.975 -18.624 64 HB2 SER 12 1HB SER 12 -5.458 -1.226 -18.535 65 HB3 SER 12 2HB SER 12 -4.198 -2.409 -18.826 66 HG SER 12 HG SER 12 -5.950 -3.279 -20.465 67 H SER 13 H SER 13 -5.860 -5.768 -17.448 68 HA SER 13 HA SER 13 -4.583 -7.066 -16.268 69 HB2 SER 13 1HB SER 13 -2.735 -4.989 -17.152 70 HB3 SER 13 2HB SER 13 -2.254 -5.590 -15.578 71 HG SER 13 HG SER 13 -2.555 -7.815 -16.580 72 H LYS 14 H LYS 14 -5.557 -7.393 -14.287 73 HA LYS 14 HA LYS 14 -4.595 -5.896 -12.057 74 HB2 LYS 14 1HB LYS 14 -6.514 -4.510 -13.170 75 HB3 LYS 14 2HB LYS 14 -7.573 -5.709 -12.455 76 HG2 LYS 14 1HG LYS 14 -7.215 -4.947 -10.320 77 HG3 LYS 14 2HG LYS 14 -5.499 -4.707 -10.583 78 HD2 LYS 14 1HD LYS 14 -5.898 -2.581 -11.727 79 HD3 LYS 14 2HD LYS 14 -7.629 -2.851 -11.738 80 HE2 LYS 14 1HE LYS 14 -7.812 -2.554 -9.364 81 HE3 LYS 14 2HE LYS 14 -6.090 -2.762 -9.116 82 HZ1 LYS 14 1HZ LYS 14 -7.425 -0.410 -9.532 83 HZ2 LYS 14 2HZ LYS 14 -5.808 -0.617 -9.438 84 HZ3 LYS 14 3HZ LYS 14 -6.552 -0.645 -10.892 85 H GLY 15 H GLY 15 -5.491 -6.824 -9.978 86 HA2 GLY 15 1HA GLY 15 -7.114 -9.002 -9.740 87 HA3 GLY 15 2HA GLY 15 -5.572 -9.684 -10.218 88 H ASP 16 H ASP 16 -5.014 -10.671 -8.250 89 HA ASP 16 HA ASP 16 -5.392 -9.572 -5.782 90 HB2 ASP 16 1HB ASP 16 -4.101 -11.848 -6.911 91 HB3 ASP 16 2HB ASP 16 -2.888 -11.080 -5.905 92 H LEU 17 H LEU 17 -2.673 -9.294 -8.141 93 HA LEU 17 HA LEU 17 -0.882 -8.004 -8.234 94 HB2 LEU 17 1HB LEU 17 -2.952 -6.281 -6.987 95 HB3 LEU 17 2HB LEU 17 -1.302 -5.694 -6.934 96 HG LEU 17 HG LEU 17 -2.536 -6.615 -9.527 97 HD11 LEU 17 1HD1 LEU 17 -3.370 -4.442 -9.998 98 HD12 LEU 17 2HD1 LEU 17 -4.009 -4.906 -8.402 99 HD13 LEU 17 3HD1 LEU 17 -2.647 -3.765 -8.519 100 HD21 LEU 17 1HD2 LEU 17 -0.896 -5.011 -10.481 101 HD22 LEU 17 2HD2 LEU 17 -0.269 -4.726 -8.840 102 HD23 LEU 17 3HD2 LEU 17 -0.144 -6.343 -9.572 103 HA PRO 18 HA PRO 18 1.559 -8.514 -4.711 104 HB2 PRO 18 1HB PRO 18 3.491 -6.595 -4.938 105 HB3 PRO 18 2HB PRO 18 3.511 -8.088 -5.855 106 HG2 PRO 18 1HG PRO 18 2.825 -5.362 -6.769 107 HG3 PRO 18 2HG PRO 18 3.261 -6.763 -7.726 108 HD2 PRO 18 1HD PRO 18 0.627 -5.692 -7.353 109 HD3 PRO 18 2HD PRO 18 1.049 -7.159 -8.214 110 H GLN 19 H GLN 19 1.287 -8.284 -2.580 111 HA GLN 19 HA GLN 19 0.590 -5.558 -1.807 112 HB2 GLN 19 1HB GLN 19 -0.510 -8.168 -0.674 113 HB3 GLN 19 2HB GLN 19 -0.867 -6.576 -0.035 114 HG2 GLN 19 1HG GLN 19 -2.222 -5.991 -1.837 115 HG3 GLN 19 2HG GLN 19 -1.320 -6.969 -2.978 116 HE21 GLN 19 1HE2 GLN 19 -3.438 -7.182 -0.140 117 HE22 GLN 19 2HE2 GLN 19 -4.264 -8.639 -0.584 118 H VAL 20 H VAL 20 1.657 -4.698 -0.010 119 HA VAL 20 HA VAL 20 3.542 -6.529 1.308 120 HB VAL 20 HB VAL 20 5.052 -4.608 1.512 121 HG11 VAL 20 1HG1 VAL 20 4.488 -6.119 -0.805 122 HG12 VAL 20 2HG1 VAL 20 4.798 -4.457 -1.362 123 HG13 VAL 20 3HG1 VAL 20 6.013 -5.307 -0.376 124 HG21 VAL 20 1HG2 VAL 20 4.648 -2.493 0.665 125 HG22 VAL 20 2HG2 VAL 20 3.420 -3.069 -0.488 126 HG23 VAL 20 3HG2 VAL 20 3.030 -2.953 1.245 127 H GLU 21 H GLU 21 3.618 -6.481 3.549 128 HA GLU 21 HA GLU 21 1.474 -4.958 4.745 129 HB2 GLU 21 1HB GLU 21 1.629 -7.389 5.217 130 HB3 GLU 21 2HB GLU 21 3.237 -7.175 5.880 131 HG2 GLU 21 1HG GLU 21 2.385 -5.798 7.708 132 HG3 GLU 21 2HG GLU 21 0.792 -5.720 6.982 133 H ILE 22 H ILE 22 1.882 -3.022 5.714 134 HA ILE 22 HA ILE 22 4.490 -2.037 5.972 135 HB ILE 22 HB ILE 22 1.926 -1.074 7.243 136 HG12 ILE 22 1HG1 ILE 22 1.708 -1.325 4.814 137 HG13 ILE 22 2HG1 ILE 22 1.675 0.358 5.301 138 HG21 ILE 22 1HG2 ILE 22 3.171 0.472 8.231 139 HG22 ILE 22 2HG2 ILE 22 4.644 -0.149 7.449 140 HG23 ILE 22 3HG2 ILE 22 3.644 1.070 6.623 141 HD11 ILE 22 1HD1 ILE 22 4.428 -0.423 4.817 142 HD12 ILE 22 2HD1 ILE 22 3.425 -0.867 3.415 143 HD13 ILE 22 3HD1 ILE 22 3.458 0.818 3.988 144 H THR 23 H THR 23 6.014 -2.307 7.518 145 HA THR 23 HA THR 23 5.324 -3.939 9.806 146 HB THR 23 HB THR 23 7.795 -3.965 10.091 147 HG1 THR 23 1HG THR 23 8.989 -2.448 8.861 148 HG21 THR 23 1HG2 THR 23 7.815 -4.020 7.136 149 HG22 THR 23 2HG2 THR 23 8.150 -5.337 8.286 150 HG23 THR 23 3HG2 THR 23 6.472 -4.966 7.821 151 H LYS 24 H LYS 24 5.954 -0.537 9.039 152 HA LYS 24 HA LYS 24 5.180 0.096 11.762 153 HB2 LYS 24 1HB LYS 24 7.054 1.567 12.161 154 HB3 LYS 24 2HB LYS 24 7.639 -0.055 11.851 155 HG2 LYS 24 1HG LYS 24 7.523 1.126 9.290 156 HG3 LYS 24 2HG LYS 24 8.105 2.416 10.324 157 HD2 LYS 24 1HD LYS 24 9.813 0.734 11.267 158 HD3 LYS 24 2HD LYS 24 9.322 -0.362 9.990 159 HE2 LYS 24 1HE LYS 24 10.502 0.781 8.405 160 HE3 LYS 24 2HE LYS 24 9.889 2.332 8.943 161 HZ1 LYS 24 1HZ LYS 24 11.875 0.940 10.558 162 HZ2 LYS 24 2HZ LYS 24 12.352 1.781 9.241 163 HZ3 LYS 24 3HZ LYS 24 11.572 2.542 10.457 164 H ALA 25 H ALA 25 4.324 2.266 11.966 165 HA ALA 25 HA ALA 25 2.829 3.058 9.765 166 HB1 ALA 25 1HB ALA 25 2.338 3.516 12.177 167 HB2 ALA 25 2HB ALA 25 3.658 4.709 12.185 168 HB3 ALA 25 3HB ALA 25 2.231 4.968 11.153 169 H PHE 26 H PHE 26 3.113 4.579 8.138 170 HA PHE 26 HA PHE 26 5.780 5.807 8.065 171 HB2 PHE 26 1HB PHE 26 5.620 4.163 6.296 172 HB3 PHE 26 2HB PHE 26 3.924 4.508 6.018 173 HD1 PHE 26 1HD PHE 26 7.122 6.453 5.959 174 HD2 PHE 26 2HD PHE 26 3.477 5.509 4.003 175 HE1 PHE 26 1HE PHE 26 7.743 7.979 4.065 176 HE2 PHE 26 2HE PHE 26 4.098 7.035 2.109 177 HZ PHE 26 HZ PHE 26 6.223 8.251 2.163 178 H PHE 27 H PHE 27 4.979 7.728 9.156 179 HA PHE 27 HA PHE 27 2.724 9.123 8.344 180 HB2 PHE 27 1HB PHE 27 5.426 9.877 9.593 181 HB3 PHE 27 2HB PHE 27 4.144 11.060 9.423 182 HD1 PHE 27 1HD PHE 27 2.042 10.802 10.706 183 HD2 PHE 27 2HD PHE 27 5.337 8.192 11.293 184 HE1 PHE 27 1HE PHE 27 1.057 10.049 12.888 185 HE2 PHE 27 2HE PHE 27 4.352 7.440 13.475 186 HZ PHE 27 HZ PHE 27 2.224 8.377 14.247 187 H ALA 28 H ALA 28 2.327 9.815 6.286 188 HA ALA 28 HA ALA 28 4.318 10.301 4.398 189 HB1 ALA 28 1HB ALA 28 1.403 11.130 4.624 190 HB2 ALA 28 2HB ALA 28 2.392 11.438 3.177 191 HB3 ALA 28 3HB ALA 28 2.085 9.767 3.706 192 H LYS 29 H LYS 29 5.557 12.069 3.900 193 HA LYS 29 HA LYS 29 5.117 14.424 5.590 194 HB2 LYS 29 1HB LYS 29 7.435 14.853 5.466 195 HB3 LYS 29 2HB LYS 29 7.283 13.138 5.785 196 HG2 LYS 29 1HG LYS 29 8.609 12.788 3.974 197 HG3 LYS 29 2HG LYS 29 7.245 13.264 2.982 198 HD2 LYS 29 1HD LYS 29 8.529 14.984 2.236 199 HD3 LYS 29 2HD LYS 29 8.298 15.725 3.807 200 HE2 LYS 29 1HE LYS 29 10.632 15.677 3.708 201 HE3 LYS 29 2HE LYS 29 10.325 14.165 4.537 202 HZ1 LYS 29 1HZ LYS 29 10.948 14.555 1.705 203 HZ2 LYS 29 2HZ LYS 29 11.754 13.655 2.804 204 HZ3 LYS 29 3HZ LYS 29 10.300 13.158 2.249 205 H GLN 30 H GLN 30 5.423 13.191 2.262 206 HA GLN 30 HA GLN 30 5.175 15.903 1.279 207 HB2 GLN 30 1HB GLN 30 6.037 13.274 0.111 208 HB3 GLN 30 2HB GLN 30 5.310 14.432 -0.986 209 HG2 GLN 30 1HG GLN 30 7.288 15.677 0.826 210 HG3 GLN 30 2HG GLN 30 7.987 14.407 -0.159 211 HE21 GLN 30 1HE2 GLN 30 6.151 17.405 -0.194 212 HE22 GLN 30 2HE2 GLN 30 6.539 17.905 -1.807 213 H ALA 31 H ALA 31 3.752 15.599 -1.076 214 HA ALA 31 HA ALA 31 1.102 14.972 -0.024 215 HB1 ALA 31 1HB ALA 31 1.829 17.226 -1.112 216 HB2 ALA 31 2HB ALA 31 1.719 16.339 -2.651 217 HB3 ALA 31 3HB ALA 31 0.283 16.501 -1.612 218 H ASP 32 H ASP 32 3.603 13.476 -1.712 219 HA ASP 32 HA ASP 32 1.789 12.081 -3.483 220 HB2 ASP 32 1HB ASP 32 4.169 10.944 -4.035 221 HB3 ASP 32 2HB ASP 32 3.678 12.466 -4.751 222 H GLU 33 H GLU 33 3.228 11.907 -0.359 223 HA GLU 33 HA GLU 33 3.380 9.029 -0.358 224 HB2 GLU 33 1HB GLU 33 3.976 11.094 1.806 225 HB3 GLU 33 2HB GLU 33 4.198 9.367 2.006 226 HG2 GLU 33 1HG GLU 33 5.980 9.274 0.454 227 HG3 GLU 33 2HG GLU 33 5.483 10.742 -0.365 228 H VAL 34 H VAL 34 2.430 8.009 1.849 229 HA VAL 34 HA VAL 34 -0.116 9.242 2.515 230 HB VAL 34 HB VAL 34 -0.754 7.931 0.650 231 HG11 VAL 34 1HG1 VAL 34 0.712 5.572 1.880 232 HG12 VAL 34 2HG1 VAL 34 -0.191 5.584 0.345 233 HG13 VAL 34 3HG1 VAL 34 1.298 6.546 0.510 234 HG21 VAL 34 1HG2 VAL 34 -1.460 6.974 3.363 235 HG22 VAL 34 2HG2 VAL 34 -2.501 7.533 2.032 236 HG23 VAL 34 3HG2 VAL 34 -1.870 5.869 2.029 237 H THR 35 H THR 35 -0.761 8.793 4.624 238 HA THR 35 HA THR 35 1.264 7.717 6.323 239 HB THR 35 HB THR 35 -1.626 8.592 6.854 240 HG1 THR 35 1HG THR 35 -0.608 10.624 7.031 241 HG21 THR 35 1HG2 THR 35 0.130 7.328 8.623 242 HG22 THR 35 2HG2 THR 35 0.501 9.051 8.873 243 HG23 THR 35 3HG2 THR 35 -1.160 8.456 9.103 244 H LEU 36 H LEU 36 1.469 5.757 7.285 245 HA LEU 36 HA LEU 36 -0.729 3.870 6.850 246 HB2 LEU 36 1HB LEU 36 2.160 3.099 6.514 247 HB3 LEU 36 2HB LEU 36 0.729 2.166 6.121 248 HG LEU 36 HG LEU 36 1.380 4.751 4.701 249 HD11 LEU 36 1HD1 LEU 36 3.181 2.794 4.657 250 HD12 LEU 36 2HD1 LEU 36 2.068 2.143 3.430 251 HD13 LEU 36 3HD1 LEU 36 2.787 3.757 3.212 252 HD21 LEU 36 1HD2 LEU 36 -0.918 3.917 4.501 253 HD22 LEU 36 2HD2 LEU 36 -0.051 3.849 2.948 254 HD23 LEU 36 3HD2 LEU 36 -0.301 2.362 3.893 255 H GLN 37 H GLN 37 -0.492 1.907 8.337 256 HA GLN 37 HA GLN 37 0.712 2.826 10.832 257 HB2 GLN 37 1HB GLN 37 -1.913 1.395 10.310 258 HB3 GLN 37 2HB GLN 37 -1.144 1.314 11.883 259 HG2 GLN 37 1HG GLN 37 -1.670 3.974 10.493 260 HG3 GLN 37 2HG GLN 37 -2.881 3.206 11.501 261 HE21 GLN 37 1HE2 GLN 37 -0.300 5.296 11.413 262 HE22 GLN 37 2HE2 GLN 37 0.101 5.385 13.096 263 H GLN 38 H GLN 38 0.939 0.762 12.416 264 HA GLN 38 HA GLN 38 2.754 -0.917 11.075 265 HB2 GLN 38 1HB GLN 38 3.138 -0.264 13.395 266 HB3 GLN 38 2HB GLN 38 1.615 -0.967 13.901 267 HG2 GLN 38 1HG GLN 38 2.386 -3.198 13.579 268 HG3 GLN 38 2HG GLN 38 3.693 -2.697 12.525 269 HE21 GLN 38 1HE2 GLN 38 5.452 -3.374 13.535 270 HE22 GLN 38 2HE2 GLN 38 5.940 -2.956 15.143 271 H ALA 39 H ALA 39 2.437 -2.898 10.125 272 HA ALA 39 HA ALA 39 1.471 -4.803 9.529 273 HB1 ALA 39 1HB ALA 39 -0.740 -5.136 11.285 274 HB2 ALA 39 2HB ALA 39 0.853 -5.925 11.373 275 HB3 ALA 39 3HB ALA 39 0.566 -4.399 12.244 276 H ASP 40 H ASP 40 0.859 -2.546 8.102 277 HA ASP 40 HA ASP 40 -2.026 -2.736 7.757 278 HB2 ASP 40 1HB ASP 40 0.005 -0.561 7.133 279 HB3 ASP 40 2HB ASP 40 -1.560 -0.567 6.345 280 H VAL 41 H VAL 41 -2.806 -3.417 5.705 281 HA VAL 41 HA VAL 41 -0.758 -4.341 3.850 282 HB VAL 41 HB VAL 41 -3.721 -4.884 4.099 283 HG11 VAL 41 1HG1 VAL 41 -3.720 -6.074 2.168 284 HG12 VAL 41 2HG1 VAL 41 -2.389 -4.971 1.745 285 HG13 VAL 41 3HG1 VAL 41 -2.032 -6.601 2.363 286 HG21 VAL 41 1HG2 VAL 41 -3.205 -6.873 5.138 287 HG22 VAL 41 2HG2 VAL 41 -1.585 -6.965 4.407 288 HG23 VAL 41 3HG2 VAL 41 -1.892 -5.841 5.753 289 H VAL 42 H VAL 42 -0.530 -3.561 1.760 290 HA VAL 42 HA VAL 42 -2.452 -1.531 0.907 291 HB VAL 42 HB VAL 42 0.538 -1.212 1.154 292 HG11 VAL 42 1HG1 VAL 42 0.422 -0.184 -0.856 293 HG12 VAL 42 2HG1 VAL 42 -1.346 0.008 -0.777 294 HG13 VAL 42 3HG1 VAL 42 -0.287 1.151 0.084 295 HG21 VAL 42 1HG2 VAL 42 0.066 0.032 2.943 296 HG22 VAL 42 2HG2 VAL 42 -1.034 1.052 1.985 297 HG23 VAL 42 3HG2 VAL 42 -1.647 -0.420 2.775 298 H LEU 43 H LEU 43 -2.946 -1.651 -1.263 299 HA LEU 43 HA LEU 43 -1.761 -3.888 -2.669 300 HB2 LEU 43 1HB LEU 43 -4.218 -3.529 -2.513 301 HB3 LEU 43 2HB LEU 43 -4.036 -2.064 -3.457 302 HG LEU 43 HG LEU 43 -3.019 -3.510 -5.291 303 HD11 LEU 43 1HD1 LEU 43 -3.802 -5.933 -5.185 304 HD12 LEU 43 2HD1 LEU 43 -2.400 -5.490 -4.182 305 HD13 LEU 43 3HD1 LEU 43 -4.004 -5.678 -3.435 306 HD21 LEU 43 1HD2 LEU 43 -5.055 -3.723 -6.293 307 HD22 LEU 43 2HD2 LEU 43 -5.828 -4.413 -4.845 308 HD23 LEU 43 3HD2 LEU 43 -5.511 -2.664 -4.937 309 H VAL 44 H VAL 44 0.124 -3.550 -3.720 310 HA VAL 44 HA VAL 44 1.054 -1.005 -4.405 311 HB VAL 44 HB VAL 44 1.824 -3.757 -5.394 312 HG11 VAL 44 1HG1 VAL 44 3.713 -1.428 -5.397 313 HG12 VAL 44 2HG1 VAL 44 3.701 -2.892 -6.410 314 HG13 VAL 44 3HG1 VAL 44 2.534 -1.584 -6.722 315 HG21 VAL 44 1HG2 VAL 44 3.803 -2.919 -3.692 316 HG22 VAL 44 2HG2 VAL 44 2.348 -2.248 -2.917 317 HG23 VAL 44 3HG2 VAL 44 2.457 -3.994 -3.246 318 H LEU 45 H LEU 45 1.031 0.182 -6.323 319 HA LEU 45 HA LEU 45 -0.716 -0.924 -8.411 320 HB2 LEU 45 1HB LEU 45 -0.529 1.860 -7.281 321 HB3 LEU 45 2HB LEU 45 -1.222 1.541 -8.859 322 HG LEU 45 HG LEU 45 -2.254 0.055 -6.460 323 HD11 LEU 45 1HD1 LEU 45 -2.631 2.954 -7.067 324 HD12 LEU 45 2HD1 LEU 45 -4.031 2.017 -6.492 325 HD13 LEU 45 3HD1 LEU 45 -2.554 2.106 -5.504 326 HD21 LEU 45 1HD2 LEU 45 -4.401 0.563 -7.976 327 HD22 LEU 45 2HD2 LEU 45 -3.146 0.638 -9.236 328 HD23 LEU 45 3HD2 LEU 45 -3.329 -0.832 -8.249 329 H GLN 46 H GLN 46 2.156 1.066 -7.569 330 HA GLN 46 HA GLN 46 3.218 0.340 -10.158 331 HB2 GLN 46 1HB GLN 46 2.422 3.054 -9.374 332 HB3 GLN 46 2HB GLN 46 4.122 2.983 -9.793 333 HG2 GLN 46 1HG GLN 46 3.706 2.441 -12.010 334 HG3 GLN 46 2HG GLN 46 2.268 1.514 -11.631 335 HE21 GLN 46 1HE2 GLN 46 0.392 2.780 -10.782 336 HE22 GLN 46 2HE2 GLN 46 0.034 4.306 -11.519 337 H GLN 47 H GLN 47 5.252 -0.485 -9.899 338 HA GLN 47 HA GLN 47 6.539 0.099 -7.362 339 HB2 GLN 47 1HB GLN 47 6.527 -2.231 -9.244 340 HB3 GLN 47 2HB GLN 47 8.031 -1.927 -8.398 341 HG2 GLN 47 1HG GLN 47 7.034 -2.214 -6.252 342 HG3 GLN 47 2HG GLN 47 5.412 -1.960 -6.865 343 HE21 GLN 47 1HE2 GLN 47 8.227 -4.076 -7.408 344 HE22 GLN 47 2HE2 GLN 47 7.357 -5.566 -7.558 345 H GLU 48 H GLU 48 8.086 1.667 -7.389 346 HA GLU 48 HA GLU 48 9.649 1.873 -9.844 347 HB2 GLU 48 1HB GLU 48 7.960 3.814 -8.912 348 HB3 GLU 48 2HB GLU 48 9.434 4.279 -8.087 349 HG2 GLU 48 1HG GLU 48 9.459 5.441 -10.193 350 HG3 GLU 48 2HG GLU 48 10.639 4.153 -10.338 351 H ASP 49 H ASP 49 11.737 1.247 -9.532 352 HA ASP 49 HA ASP 49 12.847 0.394 -7.318 353 HB2 ASP 49 1HB ASP 49 13.768 1.197 -9.862 354 HB3 ASP 49 2HB ASP 49 14.788 2.086 -8.749 355 H GLY 50 H GLY 50 12.664 1.436 -5.300 356 HA2 GLY 50 1HA GLY 50 14.067 3.076 -4.039 357 HA3 GLY 50 2HA GLY 50 13.485 4.276 -5.177 358 H TRP 51 H TRP 51 10.783 3.640 -5.495 359 HA TRP 51 HA TRP 51 9.720 3.611 -2.765 360 HB2 TRP 51 1HB TRP 51 9.332 5.740 -4.852 361 HB3 TRP 51 2HB TRP 51 8.094 5.420 -3.653 362 HD1 TRP 51 HD TRP 51 11.839 6.495 -3.759 363 HE1 TRP 51 1HE TRP 51 12.449 7.953 -1.645 364 HE3 TRP 51 3HE TRP 51 7.340 5.974 -1.448 365 HZ2 TRP 51 2HZ TRP 51 11.014 8.707 0.703 366 HZ3 TRP 51 3HZ TRP 51 7.027 7.103 0.752 367 HH2 TRP 51 HH TRP 51 8.773 8.433 1.828 368 H LEU 52 H LEU 52 7.549 2.750 -2.659 369 HA LEU 52 HA LEU 52 6.712 1.460 -5.164 370 HB2 LEU 52 1HB LEU 52 6.150 0.317 -2.450 371 HB3 LEU 52 2HB LEU 52 6.115 -0.472 -4.015 372 HG LEU 52 HG LEU 52 8.005 -1.222 -2.658 373 HD11 LEU 52 1HD1 LEU 52 8.562 -1.541 -4.848 374 HD12 LEU 52 2HD1 LEU 52 8.446 0.189 -5.252 375 HD13 LEU 52 3HD1 LEU 52 9.864 -0.425 -4.370 376 HD21 LEU 52 1HD2 LEU 52 8.184 1.230 -1.634 377 HD22 LEU 52 2HD2 LEU 52 9.564 0.106 -1.668 378 HD23 LEU 52 3HD2 LEU 52 9.428 1.385 -2.898 379 H TYR 53 H TYR 53 4.665 1.884 -5.856 380 HA TYR 53 HA TYR 53 3.042 3.549 -4.070 381 HB2 TYR 53 1HB TYR 53 3.818 4.273 -6.432 382 HB3 TYR 53 2HB TYR 53 2.912 2.924 -7.086 383 HD1 TYR 53 2HD TYR 53 2.296 5.791 -4.729 384 HD2 TYR 53 1HD TYR 53 0.844 3.431 -7.989 385 HE1 TYR 53 2HE TYR 53 0.216 7.246 -4.865 386 HE2 TYR 53 1HE TYR 53 -1.232 4.895 -8.114 387 HH TYR 53 HH TYR 53 -1.918 7.262 -5.658 388 H GLY 54 H GLY 54 0.870 3.048 -3.621 389 HA2 GLY 54 1HA GLY 54 -0.440 0.827 -4.869 390 HA3 GLY 54 2HA GLY 54 0.152 0.432 -3.267 391 H GLU 55 H GLU 55 -2.367 0.194 -3.078 392 HA GLU 55 HA GLU 55 -3.337 2.771 -2.123 393 HB2 GLU 55 1HB GLU 55 -4.609 2.438 -4.101 394 HB3 GLU 55 2HB GLU 55 -4.759 0.712 -3.832 395 HG2 GLU 55 1HG GLU 55 -5.884 2.189 -1.572 396 HG3 GLU 55 2HG GLU 55 -6.605 2.736 -3.072 397 H ARG 56 H ARG 56 -3.354 2.607 0.081 398 HA ARG 56 HA ARG 56 -3.271 0.254 1.446 399 HB2 ARG 56 1HB ARG 56 -2.672 2.319 2.556 400 HB3 ARG 56 2HB ARG 56 -4.240 3.034 2.241 401 HG2 ARG 56 1HG ARG 56 -5.338 1.554 3.818 402 HG3 ARG 56 2HG ARG 56 -3.921 0.533 3.954 403 HD2 ARG 56 1HD ARG 56 -4.188 2.082 5.916 404 HD3 ARG 56 2HD ARG 56 -2.663 2.309 5.084 405 HE ARG 56 HE ARG 56 -4.452 4.095 3.853 406 HH11 ARG 56 2HH2 ARG 56 -3.183 3.579 7.094 407 HH12 ARG 56 1HH2 ARG 56 -3.317 5.245 7.550 408 HH21 ARG 56 2HH1 ARG 56 -4.628 6.293 4.453 409 HH22 ARG 56 1HH1 ARG 56 -4.144 6.799 6.038 410 H LEU 57 H LEU 57 -4.791 -1.352 1.696 411 HA LEU 57 HA LEU 57 -7.443 -0.992 0.821 412 HB2 LEU 57 1HB LEU 57 -6.372 -3.221 2.545 413 HB3 LEU 57 2HB LEU 57 -7.770 -3.259 1.489 414 HG LEU 57 HG LEU 57 -5.090 -2.683 0.281 415 HD11 LEU 57 1HD1 LEU 57 -5.619 -5.031 1.840 416 HD12 LEU 57 2HD1 LEU 57 -5.485 -5.481 0.123 417 HD13 LEU 57 3HD1 LEU 57 -4.162 -4.593 0.916 418 HD21 LEU 57 1HD2 LEU 57 -6.407 -4.430 -1.352 419 HD22 LEU 57 2HD2 LEU 57 -7.761 -3.553 -0.599 420 HD23 LEU 57 3HD2 LEU 57 -6.492 -2.656 -1.467 421 H ARG 58 H ARG 58 -5.782 -0.331 3.818 422 HA ARG 58 HA ARG 58 -7.615 -0.756 5.703 423 HB2 ARG 58 1HB ARG 58 -5.278 0.424 5.810 424 HB3 ARG 58 2HB ARG 58 -6.156 1.915 5.534 425 HG2 ARG 58 1HG ARG 58 -7.245 1.832 7.609 426 HG3 ARG 58 2HG ARG 58 -7.165 0.084 7.706 427 HD2 ARG 58 1HD ARG 58 -4.454 0.959 7.658 428 HD3 ARG 58 2HD ARG 58 -5.280 2.068 8.735 429 HE ARG 58 HE ARG 58 -5.423 0.340 10.288 430 HH11 ARG 58 2HH2 ARG 58 -5.184 -1.075 7.075 431 HH12 ARG 58 1HH2 ARG 58 -5.151 -2.706 7.657 432 HH21 ARG 58 2HH1 ARG 58 -5.379 -1.812 11.056 433 HH22 ARG 58 1HH1 ARG 58 -5.263 -3.128 9.936 434 H ASP 59 H ASP 59 -7.297 2.446 3.982 435 HA ASP 59 HA ASP 59 -10.167 2.750 4.397 436 HB2 ASP 59 1HB ASP 59 -7.865 4.554 4.793 437 HB3 ASP 59 2HB ASP 59 -9.102 5.286 3.789 438 H GLY 60 H GLY 60 -7.550 2.365 2.171 439 HA2 GLY 60 1HA GLY 60 -7.900 1.963 -0.105 440 HA3 GLY 60 2HA GLY 60 -9.319 2.992 -0.085 441 H GLU 61 H GLU 61 -6.378 4.048 1.591 442 HA GLU 61 HA GLU 61 -6.285 6.339 -0.073 443 HB2 GLU 61 1HB GLU 61 -5.190 5.477 2.494 444 HB3 GLU 61 2HB GLU 61 -3.950 6.259 1.534 445 HG2 GLU 61 1HG GLU 61 -5.965 8.016 1.078 446 HG3 GLU 61 2HG GLU 61 -6.512 7.398 2.624 447 H THR 62 H THR 62 -4.932 6.777 -1.798 448 HA THR 62 HA THR 62 -2.974 4.674 -2.447 449 HB THR 62 HB THR 62 -4.086 6.585 -4.501 450 HG1 THR 62 1HG THR 62 -5.952 5.893 -3.270 451 HG21 THR 62 1HG2 THR 62 -2.802 4.957 -5.593 452 HG22 THR 62 2HG2 THR 62 -3.107 3.734 -4.336 453 HG23 THR 62 3HG2 THR 62 -4.365 4.106 -5.538 454 H GLY 63 H GLY 63 -0.962 5.236 -1.909 455 HA2 GLY 63 1HA GLY 63 -0.029 7.879 -2.764 456 HA3 GLY 63 2HA GLY 63 0.120 7.464 -1.068 457 H TRP 64 H TRP 64 2.506 7.890 -1.901 458 HA TRP 64 HA TRP 64 3.598 5.471 -3.120 459 HB2 TRP 64 1HB TRP 64 4.596 8.277 -2.744 460 HB3 TRP 64 2HB TRP 64 5.725 6.967 -3.027 461 HD1 TRP 64 HD TRP 64 3.120 9.083 -4.850 462 HE1 TRP 64 1HE TRP 64 3.143 8.637 -7.451 463 HE3 TRP 64 3HE TRP 64 6.218 5.055 -4.663 464 HZ2 TRP 64 2HZ TRP 64 4.426 6.694 -9.101 465 HZ3 TRP 64 3HZ TRP 64 6.806 3.941 -6.815 466 HH2 TRP 64 HH TRP 64 5.964 4.699 -8.980 467 H PHE 65 H PHE 65 4.245 3.879 -1.738 468 HA PHE 65 HA PHE 65 5.173 4.739 0.912 469 HB2 PHE 65 1HB PHE 65 4.124 2.723 1.748 470 HB3 PHE 65 2HB PHE 65 2.966 3.359 0.597 471 HD1 PHE 65 2HD PHE 65 5.785 0.940 0.854 472 HD2 PHE 65 1HD PHE 65 2.186 2.004 -1.127 473 HE1 PHE 65 2HE PHE 65 5.825 -1.240 -0.390 474 HE2 PHE 65 1HE PHE 65 2.226 -0.176 -2.370 475 HZ PHE 65 HZ PHE 65 4.045 -1.772 -1.987 476 HA PRO 66 HA PRO 66 8.902 2.837 -0.281 477 HB2 PRO 66 1HB PRO 66 10.252 3.074 2.083 478 HB3 PRO 66 2HB PRO 66 10.144 4.369 0.907 479 HG2 PRO 66 1HG PRO 66 8.727 4.084 3.486 480 HG3 PRO 66 2HG PRO 66 8.964 5.525 2.517 481 HD2 PRO 66 1HD PRO 66 6.560 3.973 2.726 482 HD3 PRO 66 2HD PRO 66 6.834 5.344 1.670 483 H GLU 67 H GLU 67 10.184 0.928 -0.086 484 HA GLU 67 HA GLU 67 8.548 -1.159 0.914 485 HB2 GLU 67 1HB GLU 67 10.607 -2.568 0.192 486 HB3 GLU 67 2HB GLU 67 9.722 -1.714 -1.056 487 HG2 GLU 67 1HG GLU 67 11.491 -0.354 -1.544 488 HG3 GLU 67 2HG GLU 67 11.828 -0.035 0.146 489 H ASP 68 H ASP 68 11.464 0.611 1.971 490 HA ASP 68 HA ASP 68 12.437 -1.113 3.821 491 HB2 ASP 68 1HB ASP 68 12.962 1.472 3.064 492 HB3 ASP 68 2HB ASP 68 12.262 1.762 4.644 493 H PHE 69 H PHE 69 9.402 0.626 3.746 494 HA PHE 69 HA PHE 69 9.005 0.158 6.612 495 HB2 PHE 69 1HB PHE 69 7.726 1.969 4.486 496 HB3 PHE 69 2HB PHE 69 7.010 1.775 6.074 497 HD1 PHE 69 2HD PHE 69 10.153 2.830 4.391 498 HD2 PHE 69 1HD PHE 69 7.712 3.117 7.850 499 HE1 PHE 69 2HE PHE 69 11.627 4.657 5.279 500 HE2 PHE 69 1HE PHE 69 9.186 4.944 8.738 501 HZ PHE 69 HZ PHE 69 11.126 5.693 7.442 502 H ALA 70 H ALA 70 8.773 -1.734 4.127 503 HA ALA 70 HA ALA 70 6.268 -2.885 5.000 504 HB1 ALA 70 1HB ALA 70 6.117 -3.047 2.190 505 HB2 ALA 70 2HB ALA 70 5.076 -2.085 3.268 506 HB3 ALA 70 3HB ALA 70 6.524 -1.350 2.540 507 H ARG 71 H ARG 71 5.982 -5.092 3.760 508 HA ARG 71 HA ARG 71 8.596 -6.136 3.084 509 HB2 ARG 71 1HB ARG 71 6.751 -7.104 5.285 510 HB3 ARG 71 2HB ARG 71 7.734 -8.280 4.436 511 HG2 ARG 71 1HG ARG 71 9.763 -6.775 4.935 512 HG3 ARG 71 2HG ARG 71 8.715 -5.844 5.987 513 HD2 ARG 71 1HD ARG 71 9.681 -7.391 7.486 514 HD3 ARG 71 2HD ARG 71 8.145 -8.147 7.115 515 HE ARG 71 HE ARG 71 10.811 -9.019 6.155 516 HH11 ARG 71 2HH2 ARG 71 7.319 -9.428 6.018 517 HH12 ARG 71 1HH2 ARG 71 7.403 -11.014 5.326 518 HH21 ARG 71 2HH1 ARG 71 10.923 -11.111 5.242 519 HH22 ARG 71 1HH1 ARG 71 9.467 -11.977 4.882 520 H PHE 72 H PHE 72 8.341 -6.946 1.024 521 HA PHE 72 HA PHE 72 5.929 -7.375 -0.205 522 HB2 PHE 72 1HB PHE 72 8.827 -8.069 -0.535 523 HB3 PHE 72 2HB PHE 72 7.754 -9.145 -1.409 524 HD1 PHE 72 1HD PHE 72 6.239 -8.221 -3.157 525 HD2 PHE 72 2HD PHE 72 9.200 -5.834 -1.275 526 HE1 PHE 72 1HE PHE 72 6.061 -6.539 -5.011 527 HE2 PHE 72 2HE PHE 72 9.022 -4.151 -3.128 528 HZ PHE 72 HZ PHE 72 7.455 -4.524 -4.975 529 H ILE 73 H ILE 73 4.342 -8.701 0.607 530 HA ILE 73 HA ILE 73 4.851 -11.013 2.078 531 HB ILE 73 HB ILE 73 2.411 -10.141 0.527 532 HG12 ILE 73 1HG1 ILE 73 3.076 -9.843 3.471 533 HG13 ILE 73 2HG1 ILE 73 3.222 -8.565 2.281 534 HG21 ILE 73 1HG2 ILE 73 1.152 -11.691 1.938 535 HG22 ILE 73 2HG2 ILE 73 2.354 -12.549 0.945 536 HG23 ILE 73 3HG2 ILE 73 2.667 -12.266 2.674 537 HD11 ILE 73 1HD1 ILE 73 0.783 -8.802 1.743 538 HD12 ILE 73 2HD1 ILE 73 0.653 -10.046 3.009 539 HD13 ILE 73 3HD1 ILE 73 1.066 -8.371 3.446 540 H SER 74 H SER 74 3.850 -10.610 -1.393 541 HA SER 74 HA SER 74 5.340 -13.021 -1.942 542 HB2 SER 74 1HB SER 74 2.431 -12.879 -1.896 543 HB3 SER 74 2HB SER 74 2.980 -13.228 -3.524 544 HG SER 74 HG SER 74 4.377 -14.939 -2.476 545 H GLY 75 H GLY 75 6.811 -12.209 -3.405 546 HA2 GLY 75 1HA GLY 75 5.733 -10.793 -5.745 547 HA3 GLY 75 2HA GLY 75 7.014 -10.045 -4.811 548 HA PRO 76 HA PRO 76 9.881 -12.450 -7.002 549 HB2 PRO 76 1HB PRO 76 12.030 -12.449 -5.313 550 HB3 PRO 76 2HB PRO 76 11.631 -11.100 -6.358 551 HG2 PRO 76 1HG PRO 76 11.252 -11.358 -3.438 552 HG3 PRO 76 2HG PRO 76 11.264 -9.906 -4.419 553 HD2 PRO 76 1HD PRO 76 8.959 -11.225 -3.333 554 HD3 PRO 76 2HD PRO 76 8.966 -9.841 -4.409 555 H SER 77 H SER 77 11.488 -14.371 -6.881 556 HA SER 77 HA SER 77 10.349 -16.255 -4.981 557 HB2 SER 77 1HB SER 77 10.310 -18.007 -6.735 558 HB3 SER 77 2HB SER 77 9.248 -16.672 -7.138 559 HG SER 77 HG SER 77 10.546 -16.058 -8.788 560 H SER 78 H SER 78 11.977 -17.151 -3.770 561 HA SER 78 HA SER 78 14.658 -16.902 -4.824 562 HB2 SER 78 1HB SER 78 13.902 -16.144 -2.452 563 HB3 SER 78 2HB SER 78 13.887 -17.847 -2.040 564 HG SER 78 HG SER 78 16.221 -17.585 -3.190 565 H GLY 79 H GLY 79 12.621 -19.361 -3.065 566 HA2 GLY 79 1HA GLY 79 14.216 -21.563 -3.319 567 HA3 GLY 79 2HA GLY 79 12.463 -21.594 -3.316
Contact the webmaster for help, if required. Monday, April 29, 2024 11:50:59 AM GMT (wattos1)